REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1qws_1_C DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRNIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.277 176.300 -0.039 0.000 2.045 27 D CA 0.000 53.980 54.000 -0.034 0.000 0.868 27 D CB 0.000 40.783 40.800 -0.028 0.000 0.688 28 S N 0.233 115.910 115.700 -0.037 0.000 2.631 28 S HA 0.241 4.752 4.470 0.069 0.000 0.217 28 S C 1.810 176.375 174.600 -0.058 0.000 0.958 28 S CA -0.077 58.099 58.200 -0.041 0.000 0.920 28 S CB -0.268 62.914 63.200 -0.031 0.000 0.776 28 S HN 0.163 nan 8.310 nan 0.000 0.517 29 L N 0.913 122.095 121.223 -0.068 0.000 2.027 29 L HA 0.062 4.443 4.340 0.069 0.000 0.206 29 L C 1.552 178.348 176.870 -0.124 0.000 1.074 29 L CA 0.556 55.349 54.840 -0.079 0.000 0.745 29 L CB -0.927 41.093 42.059 -0.065 0.000 0.898 29 L HN 0.307 nan 8.230 nan 0.000 0.433 30 A N 1.021 123.718 122.820 -0.204 0.000 2.466 30 A HA 0.262 4.623 4.320 0.069 0.000 0.238 30 A C -1.960 175.494 177.584 -0.217 0.000 1.074 30 A CA -0.872 50.938 52.037 -0.379 0.000 0.774 30 A CB -0.663 17.890 19.000 -0.746 0.000 1.015 30 A HN 0.080 nan 8.150 nan 0.000 0.498 31 P HA 0.146 nan 4.420 nan 0.000 0.272 31 P C 0.133 177.428 177.300 -0.009 0.000 1.223 31 P CA -0.098 62.978 63.100 -0.039 0.000 0.784 31 P CB 0.909 32.622 31.700 0.022 0.000 0.923 32 E N 1.407 121.608 120.200 0.001 0.000 2.110 32 E HA -0.198 4.194 4.350 0.069 0.000 0.193 32 E C 1.204 177.825 176.600 0.035 0.000 0.988 32 E CA 1.678 58.085 56.400 0.012 0.000 0.804 32 E CB -0.554 29.148 29.700 0.004 0.000 0.745 32 E HN 0.535 nan 8.360 nan 0.000 0.458 33 D N -1.481 118.944 120.400 0.042 0.000 2.363 33 D HA 0.016 4.698 4.640 0.069 0.000 0.220 33 D C 1.197 177.540 176.300 0.070 0.000 0.994 33 D CA 0.890 54.917 54.000 0.046 0.000 0.890 33 D CB -0.380 40.440 40.800 0.034 0.000 0.906 33 D HN 0.220 nan 8.370 nan 0.000 0.530 34 G N 0.253 109.133 108.800 0.133 0.000 2.160 34 G HA2 -0.331 3.671 3.960 0.069 0.000 0.251 34 G HA3 -0.331 3.671 3.960 0.069 0.000 0.251 34 G C 0.916 175.882 174.900 0.110 0.000 1.008 34 G CA 0.810 46.027 45.100 0.196 0.000 0.724 34 G HN 0.734 nan 8.290 nan 0.000 0.514 35 S N 0.291 116.074 115.700 0.139 0.000 2.603 35 S HA 0.029 4.540 4.470 0.069 0.000 0.220 35 S C 1.898 176.543 174.600 0.075 0.000 0.967 35 S CA 0.874 59.111 58.200 0.063 0.000 0.920 35 S CB -0.470 62.762 63.200 0.054 0.000 0.773 35 S HN 0.933 nan 8.310 nan 0.000 0.529 36 H N 0.630 119.706 119.070 0.009 0.000 2.524 36 H HA 0.241 4.838 4.556 0.068 0.000 0.282 36 H C 0.575 175.913 175.328 0.018 0.000 1.016 36 H CA 0.365 56.420 56.048 0.011 0.000 1.270 36 H CB -0.301 29.466 29.762 0.010 0.000 1.394 36 H HN 0.269 nan 8.280 nan 0.000 0.568 37 R N 2.288 122.528 120.500 -0.433 0.000 2.295 37 R HA 0.361 4.743 4.340 0.069 0.000 0.324 37 R C -2.568 173.648 176.300 -0.141 0.000 0.968 37 R CA -2.152 53.735 56.100 -0.355 0.000 0.837 37 R CB 0.921 30.939 30.300 -0.471 0.000 1.133 37 R HN 0.149 nan 8.270 nan 0.000 0.450 38 P HA 0.122 nan 4.420 nan 0.000 0.271 38 P C -0.981 176.309 177.300 -0.016 0.000 1.216 38 P CA -0.332 62.759 63.100 -0.015 0.000 0.771 38 P CB 0.992 32.708 31.700 0.028 0.000 0.864 39 A N 3.328 126.144 122.820 -0.007 0.000 2.566 39 A HA 0.305 4.667 4.320 0.069 0.000 0.245 39 A C 1.050 178.641 177.584 0.013 0.000 1.056 39 A CA 0.235 52.271 52.037 -0.001 0.000 0.757 39 A CB -0.581 18.421 19.000 0.003 0.000 0.979 39 A HN 0.598 nan 8.150 nan 0.000 0.508 40 A N 3.718 126.545 122.820 0.011 0.000 3.051 40 A HA 0.469 4.830 4.320 0.069 0.000 0.257 40 A C 0.433 178.031 177.584 0.024 0.000 1.785 40 A CA 0.326 52.375 52.037 0.020 0.000 1.420 40 A CB -0.936 18.073 19.000 0.015 0.000 1.063 40 A HN 0.908 nan 8.150 nan 0.000 0.630 41 E N -1.006 119.210 120.200 0.028 0.000 2.401 41 E HA 0.438 4.829 4.350 0.069 0.000 0.280 41 E C -3.325 173.293 176.600 0.031 0.000 1.039 41 E CA -2.509 53.909 56.400 0.029 0.000 0.814 41 E CB 0.389 30.101 29.700 0.020 0.000 1.275 41 E HN 0.044 nan 8.360 nan 0.000 0.448 42 P HA 0.083 nan 4.420 nan 0.000 0.267 42 P C -0.908 176.399 177.300 0.011 0.000 1.205 42 P CA 0.329 63.440 63.100 0.019 0.000 0.765 42 P CB 0.525 32.224 31.700 -0.001 0.000 0.828 43 T N 1.055 115.612 114.554 0.006 0.000 2.916 43 T HA 0.606 4.997 4.350 0.069 0.000 0.305 43 T C -2.982 171.693 174.700 -0.041 0.000 1.119 43 T CA -2.569 59.529 62.100 -0.003 0.000 1.008 43 T CB 1.790 70.661 68.868 0.005 0.000 1.129 43 T HN 0.071 nan 8.240 nan 0.000 0.480 44 P HA 0.359 nan 4.420 nan 0.000 0.274 44 P C -2.774 174.386 177.300 -0.234 0.000 1.246 44 P CA -1.615 61.331 63.100 -0.256 0.000 0.795 44 P CB -0.859 30.739 31.700 -0.170 0.000 1.006 45 P HA 0.025 nan 4.420 nan 0.000 0.262 45 P C 1.087 178.338 177.300 -0.082 0.000 1.182 45 P CA 1.616 64.620 63.100 -0.160 0.000 0.761 45 P CB -0.343 31.256 31.700 -0.169 0.000 0.795 46 G N 2.805 111.588 108.800 -0.028 0.000 2.205 46 G HA2 -0.344 3.657 3.960 0.069 0.000 0.261 46 G HA3 -0.344 3.657 3.960 0.069 0.000 0.261 46 G C 1.132 176.029 174.900 -0.006 0.000 0.980 46 G CA 0.422 45.517 45.100 -0.007 0.000 0.632 46 G HN 0.669 nan 8.290 nan 0.000 0.533 47 A N -1.085 121.727 122.820 -0.014 0.000 1.970 47 A HA 0.422 4.783 4.320 0.069 0.000 0.216 47 A C 1.372 178.959 177.584 0.004 0.000 1.170 47 A CA 1.927 53.961 52.037 -0.005 0.000 0.645 47 A CB 0.009 19.003 19.000 -0.010 0.000 0.816 47 A HN 0.503 nan 8.150 nan 0.000 0.447 48 Q N -0.978 118.828 119.800 0.010 0.000 2.484 48 Q HA 0.447 4.829 4.340 0.069 0.000 0.285 48 Q C -2.937 173.079 176.000 0.027 0.000 1.097 48 Q CA -2.113 53.700 55.803 0.018 0.000 0.802 48 Q CB 0.853 29.604 28.738 0.022 0.000 1.444 48 Q HN 0.063 nan 8.270 nan 0.000 0.429 49 P HA 0.050 nan 4.420 nan 0.000 0.271 49 P C -0.324 177.012 177.300 0.061 0.000 1.216 49 P CA 0.030 63.148 63.100 0.030 0.000 0.776 49 P CB 0.243 31.957 31.700 0.024 0.000 0.881 50 T N -0.258 114.336 114.554 0.066 0.000 2.856 50 T HA 0.543 4.934 4.350 0.069 0.000 0.306 50 T C 0.064 174.863 174.700 0.166 0.000 1.062 50 T CA -0.492 61.703 62.100 0.158 0.000 1.083 50 T CB 0.525 69.429 68.868 0.060 0.000 0.984 50 T HN 0.548 nan 8.240 nan 0.000 0.542 51 A N 2.030 125.045 122.820 0.324 0.000 2.594 51 A HA 0.790 5.151 4.320 0.069 0.000 0.291 51 A C -2.975 174.875 177.584 0.443 0.000 1.105 51 A CA -2.152 50.045 52.037 0.268 0.000 0.694 51 A CB 0.740 19.846 19.000 0.177 0.000 1.291 51 A HN 0.663 nan 8.150 nan 0.000 0.410 52 P HA 0.096 nan 4.420 nan 0.000 0.264 52 P C 1.253 178.695 177.300 0.237 0.000 1.183 52 P CA 0.971 64.289 63.100 0.362 0.000 0.763 52 P CB 0.480 32.316 31.700 0.227 0.000 0.807 53 G N 2.797 111.696 108.800 0.166 0.000 2.505 53 G HA2 -0.328 3.673 3.960 0.069 0.000 0.220 53 G HA3 -0.328 3.673 3.960 0.069 0.000 0.220 53 G C 1.508 176.418 174.900 0.017 0.000 1.145 53 G CA 1.251 46.357 45.100 0.010 0.000 0.761 53 G HN 0.598 nan 8.290 nan 0.000 0.571 54 S N -0.184 115.533 115.700 0.029 0.000 2.489 54 S HA 0.207 4.719 4.470 0.069 0.000 0.228 54 S C 2.190 176.807 174.600 0.028 0.000 0.995 54 S CA 0.507 58.711 58.200 0.006 0.000 0.934 54 S CB -0.098 63.097 63.200 -0.008 0.000 0.771 54 S HN 0.317 nan 8.310 nan 0.000 0.522 55 L N 0.078 121.334 121.223 0.056 0.000 2.202 55 L HA 0.204 4.585 4.340 0.069 0.000 0.205 55 L C 2.726 179.627 176.870 0.052 0.000 1.083 55 L CA 0.936 55.808 54.840 0.055 0.000 0.790 55 L CB -0.417 41.685 42.059 0.072 0.000 0.942 55 L HN 0.267 nan 8.230 nan 0.000 0.452 56 K N 1.461 121.903 120.400 0.069 0.000 2.057 56 K HA -0.029 4.333 4.320 0.069 0.000 0.206 56 K C 0.730 177.356 176.600 0.044 0.000 1.050 56 K CA 1.463 57.791 56.287 0.067 0.000 0.935 56 K CB 0.013 32.569 32.500 0.092 0.000 0.715 56 K HN 0.173 nan 8.250 nan 0.000 0.439 57 A N 0.604 123.441 122.820 0.030 0.000 3.317 57 A HA 0.346 4.707 4.320 0.069 0.000 0.307 57 A C -2.183 175.406 177.584 0.007 0.000 1.003 57 A CA -0.953 51.100 52.037 0.025 0.000 0.882 57 A CB 0.642 19.660 19.000 0.029 0.000 1.136 57 A HN 0.165 nan 8.150 nan 0.000 0.488 58 P HA -0.107 nan 4.420 nan 0.000 0.223 58 P C 0.164 177.458 177.300 -0.010 0.000 1.151 58 P CA 1.064 64.163 63.100 -0.002 0.000 0.787 58 P CB 0.317 32.019 31.700 0.004 0.000 0.788 59 D N -0.659 119.739 120.400 -0.002 0.000 2.347 59 D HA -0.003 4.678 4.640 0.069 0.000 0.213 59 D C 0.512 176.801 176.300 -0.018 0.000 0.985 59 D CA 0.639 54.635 54.000 -0.007 0.000 0.879 59 D CB -0.507 40.296 40.800 0.004 0.000 0.919 59 D HN 0.148 nan 8.370 nan 0.000 0.526 60 T N 2.632 117.173 114.554 -0.021 0.000 2.870 60 T HA 0.260 4.651 4.350 0.069 0.000 0.300 60 T C 0.611 175.268 174.700 -0.072 0.000 0.989 60 T CA -0.252 61.821 62.100 -0.045 0.000 1.139 60 T CB 1.152 69.991 68.868 -0.048 0.000 0.920 60 T HN 0.135 nan 8.240 nan 0.000 0.537 61 R N 1.854 122.302 120.500 -0.087 0.000 2.707 61 R HA 0.559 4.941 4.340 0.069 0.000 0.272 61 R C -1.497 174.741 176.300 -0.103 0.000 1.011 61 R CA -0.921 55.123 56.100 -0.094 0.000 0.893 61 R CB 1.281 31.535 30.300 -0.078 0.000 1.233 61 R HN 0.748 nan 8.270 nan 0.000 0.464 62 N N -1.165 117.479 118.700 -0.092 0.000 3.039 62 N HA 0.120 4.901 4.740 0.069 0.000 0.257 62 N C 0.107 175.576 175.510 -0.067 0.000 1.497 62 N CA -0.713 52.296 53.050 -0.069 0.000 0.861 62 N CB 0.760 39.238 38.487 -0.015 0.000 1.479 62 N HN 0.713 nan 8.380 nan 0.000 0.547 63 E N -0.533 119.642 120.200 -0.042 0.000 2.160 63 E HA -0.251 4.141 4.350 0.069 0.000 0.195 63 E C 1.000 177.537 176.600 -0.105 0.000 0.991 63 E CA 1.343 57.713 56.400 -0.051 0.000 0.810 63 E CB 0.115 29.810 29.700 -0.009 0.000 0.742 63 E HN 0.482 nan 8.360 nan 0.000 0.466 64 K N 0.658 120.968 120.400 -0.150 0.000 2.044 64 K HA -0.047 4.314 4.320 0.069 0.000 0.204 64 K C 2.058 178.511 176.600 -0.244 0.000 1.049 64 K CA 1.021 57.129 56.287 -0.298 0.000 0.945 64 K CB -0.386 31.805 32.500 -0.515 0.000 0.724 64 K HN 0.153 nan 8.250 nan 0.000 0.440 65 L N 1.051 122.148 121.223 -0.211 0.000 2.083 65 L HA -0.193 4.189 4.340 0.069 0.000 0.209 65 L C 1.755 178.521 176.870 -0.173 0.000 1.083 65 L CA 1.205 55.895 54.840 -0.250 0.000 0.752 65 L CB -0.610 41.289 42.059 -0.268 0.000 0.899 65 L HN 0.243 nan 8.230 nan 0.000 0.433 66 N N -0.396 118.225 118.700 -0.132 0.000 2.188 66 N HA -0.148 4.634 4.740 0.069 0.000 0.184 66 N C 2.060 177.514 175.510 -0.094 0.000 1.018 66 N CA 1.620 54.611 53.050 -0.097 0.000 0.858 66 N CB -0.364 38.078 38.487 -0.074 0.000 0.989 66 N HN 0.364 nan 8.380 nan 0.000 0.426 67 S N 0.262 115.896 115.700 -0.111 0.000 2.489 67 S HA 0.098 4.610 4.470 0.069 0.000 0.228 67 S C 1.756 176.294 174.600 -0.104 0.000 0.995 67 S CA 0.090 58.231 58.200 -0.099 0.000 0.934 67 S CB -0.387 62.754 63.200 -0.100 0.000 0.771 67 S HN 0.208 nan 8.310 nan 0.000 0.522 68 L N 0.989 122.136 121.223 -0.128 0.000 2.551 68 L HA 0.119 4.500 4.340 0.069 0.000 0.228 68 L C 2.655 179.476 176.870 -0.081 0.000 1.153 68 L CA 0.803 55.575 54.840 -0.113 0.000 0.851 68 L CB -0.403 41.572 42.059 -0.139 0.000 0.959 68 L HN 0.323 nan 8.230 nan 0.000 0.451 69 E N 1.062 121.218 120.200 -0.074 0.000 2.153 69 E HA -0.245 4.147 4.350 0.069 0.000 0.194 69 E C 1.630 178.207 176.600 -0.038 0.000 0.988 69 E CA 1.450 57.819 56.400 -0.052 0.000 0.811 69 E CB -0.053 29.619 29.700 -0.047 0.000 0.746 69 E HN 0.573 nan 8.360 nan 0.000 0.466 70 D N -0.472 119.903 120.400 -0.041 0.000 2.310 70 D HA -0.130 4.551 4.640 0.069 0.000 0.212 70 D C 1.589 177.871 176.300 -0.030 0.000 0.965 70 D CA 1.291 55.271 54.000 -0.033 0.000 0.879 70 D CB -0.262 40.518 40.800 -0.034 0.000 0.921 70 D HN 0.282 nan 8.370 nan 0.000 0.510 71 V N -3.507 116.387 119.914 -0.033 0.000 3.528 71 V HA 0.330 4.491 4.120 0.069 0.000 0.294 71 V C 0.746 176.831 176.094 -0.016 0.000 1.404 71 V CA -0.700 61.585 62.300 -0.026 0.000 1.065 71 V CB -0.556 31.250 31.823 -0.028 0.000 0.904 71 V HN -0.159 nan 8.190 nan 0.000 0.435 72 R N 2.260 122.751 120.500 -0.016 0.000 2.489 72 R HA 0.387 4.768 4.340 0.069 0.000 0.287 72 R C -0.375 175.928 176.300 0.004 0.000 1.053 72 R CA 0.202 56.302 56.100 -0.001 0.000 1.036 72 R CB 0.518 30.817 30.300 -0.001 0.000 0.966 72 R HN 0.430 nan 8.270 nan 0.000 0.432 73 K N 1.800 122.208 120.400 0.013 0.000 2.339 73 K HA 0.243 4.605 4.320 0.069 0.000 0.264 73 K C 0.291 176.917 176.600 0.043 0.000 0.986 73 K CA -0.427 55.861 56.287 0.002 0.000 0.866 73 K CB 2.219 34.709 32.500 -0.016 0.000 1.103 73 K HN 0.708 nan 8.250 nan 0.000 0.441 74 G N 0.557 109.407 108.800 0.083 0.000 2.489 74 G HA2 0.155 4.156 3.960 0.069 0.000 0.271 74 G HA3 0.155 4.156 3.960 0.069 0.000 0.271 74 G C 0.652 175.684 174.900 0.220 0.000 1.427 74 G CA 0.135 45.338 45.100 0.171 0.000 1.057 74 G HN 0.630 nan 8.290 nan 0.000 0.532 75 S N -2.866 113.014 115.700 0.300 0.000 2.660 75 S HA 0.138 4.649 4.470 0.069 0.000 0.262 75 S C 0.292 175.021 174.600 0.215 0.000 1.006 75 S CA -0.127 58.245 58.200 0.285 0.000 1.174 75 S CB 0.036 63.323 63.200 0.145 0.000 0.939 75 S HN 0.505 nan 8.310 nan 0.000 0.438 76 E N 2.791 123.035 120.200 0.073 0.000 2.417 76 E HA 0.238 4.630 4.350 0.069 0.000 0.261 76 E C -0.255 176.206 176.600 -0.230 0.000 1.000 76 E CA 0.211 56.585 56.400 -0.043 0.000 0.919 76 E CB 0.112 29.790 29.700 -0.037 0.000 0.955 76 E HN 0.392 nan 8.360 nan 0.000 0.455 77 N N 1.274 119.874 118.700 -0.166 0.000 2.909 77 N HA -0.220 4.561 4.740 0.069 0.000 0.242 77 N C -1.077 174.288 175.510 -0.243 0.000 0.975 77 N CA 1.057 53.980 53.050 -0.212 0.000 0.921 77 N CB -1.313 37.022 38.487 -0.253 0.000 1.112 77 N HN 0.366 nan 8.380 nan 0.000 0.581 78 Y N 0.783 121.088 120.300 0.008 0.000 2.352 78 Y HA 0.617 5.209 4.550 0.070 0.000 0.326 78 Y C 1.031 176.933 175.900 0.004 0.000 1.166 78 Y CA -0.642 57.462 58.100 0.007 0.000 1.182 78 Y CB 0.891 39.356 38.460 0.007 0.000 1.216 78 Y HN 0.124 nan 8.280 nan 0.000 0.474 79 A N 2.628 125.561 122.820 0.189 0.000 2.407 79 A HA 0.377 4.738 4.320 0.069 0.000 0.248 79 A C -0.635 176.998 177.584 0.082 0.000 1.082 79 A CA -0.526 51.571 52.037 0.101 0.000 0.785 79 A CB 0.020 19.064 19.000 0.074 0.000 1.020 79 A HN 0.713 nan 8.150 nan 0.000 0.489 80 L N 2.930 124.182 121.223 0.048 0.000 2.410 80 L HA 0.495 4.876 4.340 0.069 0.000 0.273 80 L C 0.642 177.520 176.870 0.013 0.000 1.144 80 L CA 1.131 55.985 54.840 0.025 0.000 0.863 80 L CB 0.265 42.330 42.059 0.010 0.000 1.140 80 L HN 0.896 nan 8.230 nan 0.000 0.463 81 T N 0.520 115.076 114.554 0.004 0.000 2.887 81 T HA 0.670 5.061 4.350 0.069 0.000 0.292 81 T C 0.229 174.928 174.700 -0.000 0.000 1.087 81 T CA -0.177 61.927 62.100 0.006 0.000 1.009 81 T CB 1.057 69.929 68.868 0.006 0.000 1.203 81 T HN 0.804 nan 8.240 nan 0.000 0.518 82 T N 0.429 114.996 114.554 0.022 0.000 2.701 82 T HA 0.198 4.589 4.350 0.069 0.000 0.303 82 T C 1.080 175.794 174.700 0.023 0.000 1.030 82 T CA -0.517 61.605 62.100 0.036 0.000 1.010 82 T CB -0.068 68.864 68.868 0.107 0.000 1.007 82 T HN 0.583 nan 8.240 nan 0.000 0.532 83 N N 0.507 119.223 118.700 0.027 0.000 2.520 83 N HA -0.067 4.715 4.740 0.069 0.000 0.185 83 N C 1.521 177.048 175.510 0.028 0.000 1.068 83 N CA 0.528 53.588 53.050 0.016 0.000 0.911 83 N CB -0.148 38.356 38.487 0.028 0.000 0.961 83 N HN 0.557 nan 8.380 nan 0.000 0.446 84 Q N -0.496 119.334 119.800 0.050 0.000 2.360 84 Q HA 0.182 4.563 4.340 0.069 0.000 0.202 84 Q C 0.828 176.848 176.000 0.034 0.000 0.915 84 Q CA 0.181 56.010 55.803 0.042 0.000 0.943 84 Q CB 0.428 29.199 28.738 0.055 0.000 1.064 84 Q HN 0.409 nan 8.270 nan 0.000 0.511 85 G N 0.420 109.238 108.800 0.030 0.000 2.141 85 G HA2 -0.230 3.771 3.960 0.069 0.000 0.242 85 G HA3 -0.230 3.771 3.960 0.069 0.000 0.242 85 G C 0.058 174.980 174.900 0.037 0.000 0.982 85 G CA 0.107 45.218 45.100 0.018 0.000 0.662 85 G HN 0.216 nan 8.290 nan 0.000 0.527 86 V N 1.646 121.600 119.914 0.067 0.000 2.461 86 V HA 0.367 4.529 4.120 0.069 0.000 0.275 86 V C 1.301 177.434 176.094 0.065 0.000 1.047 86 V CA -0.556 61.797 62.300 0.088 0.000 0.955 86 V CB 1.083 33.010 31.823 0.174 0.000 0.988 86 V HN 0.407 nan 8.190 nan 0.000 0.471 87 R N 4.342 124.873 120.500 0.051 0.000 2.537 87 R HA 0.350 4.731 4.340 0.069 0.000 0.280 87 R C -0.535 175.779 176.300 0.022 0.000 1.058 87 R CA -0.023 56.097 56.100 0.034 0.000 1.057 87 R CB 0.483 30.803 30.300 0.033 0.000 0.973 87 R HN 0.572 nan 8.270 nan 0.000 0.438 88 I N 2.035 122.606 120.570 0.002 0.000 2.359 88 I HA 0.135 4.346 4.170 0.069 0.000 0.294 88 I C 0.950 177.056 176.117 -0.019 0.000 0.987 88 I CA 0.029 61.313 61.300 -0.026 0.000 1.225 88 I CB 1.924 39.897 38.000 -0.044 0.000 1.366 88 I HN 0.771 nan 8.210 nan 0.000 0.466 89 A N 3.991 126.796 122.820 -0.025 0.000 1.887 89 A HA 0.003 4.364 4.320 0.069 0.000 0.212 89 A C 0.696 178.264 177.584 -0.027 0.000 1.198 89 A CA 0.979 53.005 52.037 -0.019 0.000 0.628 89 A CB 0.031 19.023 19.000 -0.013 0.000 0.847 89 A HN 0.676 nan 8.150 nan 0.000 0.449 90 D N -0.561 119.815 120.400 -0.041 0.000 2.469 90 D HA 0.347 5.028 4.640 0.069 0.000 0.251 90 D C -1.297 174.971 176.300 -0.054 0.000 1.173 90 D CA -0.377 53.598 54.000 -0.042 0.000 0.882 90 D CB 1.232 42.008 40.800 -0.040 0.000 1.129 90 D HN 0.087 nan 8.370 nan 0.000 0.549 91 D N 2.090 122.461 120.400 -0.047 0.000 2.395 91 D HA 0.049 4.731 4.640 0.069 0.000 0.226 91 D C 0.566 176.835 176.300 -0.052 0.000 1.146 91 D CA 0.226 54.194 54.000 -0.054 0.000 0.830 91 D CB 0.490 41.263 40.800 -0.045 0.000 0.958 91 D HN 0.201 nan 8.370 nan 0.000 0.501 92 Q N -0.591 119.180 119.800 -0.049 0.000 2.280 92 Q HA 0.284 4.666 4.340 0.069 0.000 0.228 92 Q C -0.200 175.771 176.000 -0.049 0.000 0.857 92 Q CA 0.194 55.968 55.803 -0.047 0.000 0.939 92 Q CB 0.760 29.475 28.738 -0.038 0.000 1.114 92 Q HN 0.206 nan 8.270 nan 0.000 0.514 93 N N -0.036 118.632 118.700 -0.052 0.000 2.277 93 N HA 0.309 5.090 4.740 0.069 0.000 0.286 93 N C -0.987 174.488 175.510 -0.057 0.000 1.140 93 N CA -0.248 52.773 53.050 -0.049 0.000 0.799 93 N CB 2.124 40.587 38.487 -0.040 0.000 1.596 93 N HN -0.184 nan 8.380 nan 0.000 0.473 94 S N 0.784 116.454 115.700 -0.050 0.000 2.603 94 S HA 0.268 4.780 4.470 0.069 0.000 0.268 94 S C 0.153 174.728 174.600 -0.042 0.000 1.317 94 S CA -0.561 57.609 58.200 -0.050 0.000 1.012 94 S CB 0.716 63.893 63.200 -0.038 0.000 0.926 94 S HN 0.393 nan 8.310 nan 0.000 0.539 95 L N 3.560 124.758 121.223 -0.041 0.000 2.319 95 L HA 0.428 4.809 4.340 0.069 0.000 0.280 95 L C 0.093 176.956 176.870 -0.012 0.000 1.099 95 L CA 0.372 55.196 54.840 -0.026 0.000 0.828 95 L CB -0.112 41.934 42.059 -0.021 0.000 1.150 95 L HN 0.738 nan 8.230 nan 0.000 0.442 96 R N 4.205 124.699 120.500 -0.009 0.000 2.808 96 R HA 0.870 5.251 4.340 0.069 0.000 0.272 96 R C -1.212 175.087 176.300 -0.001 0.000 0.995 96 R CA -0.850 55.248 56.100 -0.005 0.000 0.917 96 R CB 1.178 31.473 30.300 -0.008 0.000 1.217 96 R HN 0.587 nan 8.270 nan 0.000 0.471 97 A N 1.302 124.123 122.820 0.002 0.000 2.650 97 A HA 0.605 4.966 4.320 0.069 0.000 0.320 97 A C 0.551 178.136 177.584 0.001 0.000 1.466 97 A CA 0.218 52.257 52.037 0.003 0.000 1.099 97 A CB -0.747 18.256 19.000 0.005 0.000 1.136 97 A HN 1.260 nan 8.150 nan 0.000 0.532 98 G N 1.193 109.993 108.800 -0.001 0.000 2.719 98 G HA2 0.051 4.052 3.960 0.069 0.000 0.686 98 G HA3 0.051 4.052 3.960 0.069 0.000 0.686 98 G C 0.630 175.527 174.900 -0.005 0.000 1.201 98 G CA 0.092 45.191 45.100 -0.002 0.000 0.768 98 G HN 1.828 nan 8.290 nan 0.000 0.629 99 S N -0.040 115.657 115.700 -0.006 0.000 2.515 99 S HA 0.011 4.523 4.470 0.069 0.000 0.231 99 S C 1.526 176.121 174.600 -0.009 0.000 0.987 99 S CA 1.334 59.529 58.200 -0.008 0.000 0.936 99 S CB 0.087 63.281 63.200 -0.009 0.000 0.766 99 S HN 0.739 nan 8.310 nan 0.000 0.528 100 R N 0.851 121.347 120.500 -0.007 0.000 2.586 100 R HA 0.357 4.738 4.340 0.069 0.000 0.336 100 R C 0.889 177.185 176.300 -0.006 0.000 1.060 100 R CA 0.016 56.112 56.100 -0.007 0.000 1.079 100 R CB 0.776 31.073 30.300 -0.006 0.000 1.317 100 R HN 0.446 nan 8.270 nan 0.000 0.568 101 G N 1.443 110.240 108.800 -0.005 0.000 2.642 101 G HA2 0.403 4.404 3.960 0.069 0.000 0.291 101 G HA3 0.403 4.404 3.960 0.069 0.000 0.291 101 G C -2.449 172.449 174.900 -0.003 0.000 1.345 101 G CA -1.170 43.928 45.100 -0.003 0.000 1.043 101 G HN -0.104 nan 8.290 nan 0.000 0.528 102 P HA 0.230 nan 4.420 nan 0.000 0.275 102 P C -0.133 177.167 177.300 0.000 0.000 1.228 102 P CA -0.071 63.029 63.100 0.000 0.000 0.786 102 P CB 0.796 32.498 31.700 0.003 0.000 0.927 103 T N 2.831 117.385 114.554 -0.001 0.000 2.919 103 T HA 0.230 4.621 4.350 0.069 0.000 0.302 103 T C 0.485 175.189 174.700 0.007 0.000 1.031 103 T CA -0.020 62.079 62.100 -0.001 0.000 1.127 103 T CB -0.041 68.825 68.868 -0.004 0.000 0.952 103 T HN 0.185 nan 8.240 nan 0.000 0.540 104 L N 3.588 124.817 121.223 0.010 0.000 2.325 104 L HA 0.328 4.709 4.340 0.069 0.000 0.279 104 L C 1.372 178.260 176.870 0.030 0.000 1.054 104 L CA -0.783 54.069 54.840 0.020 0.000 0.804 104 L CB 1.025 43.098 42.059 0.024 0.000 1.200 104 L HN 0.518 nan 8.230 nan 0.000 0.436 105 L N 2.300 123.544 121.223 0.035 0.000 2.191 105 L HA -0.188 4.193 4.340 0.069 0.000 0.212 105 L C 2.319 179.230 176.870 0.068 0.000 1.103 105 L CA 1.626 56.493 54.840 0.045 0.000 0.769 105 L CB -0.539 41.543 42.059 0.040 0.000 0.908 105 L HN 0.789 nan 8.230 nan 0.000 0.438 106 E N -1.480 118.765 120.200 0.074 0.000 2.516 106 E HA -0.184 4.207 4.350 0.069 0.000 0.199 106 E C 0.192 176.896 176.600 0.173 0.000 1.069 106 E CA 0.264 56.736 56.400 0.119 0.000 0.876 106 E CB -0.527 29.236 29.700 0.105 0.000 0.843 106 E HN 0.371 nan 8.360 nan 0.000 0.530 107 D N 1.138 121.595 120.400 0.095 0.000 2.455 107 D HA -0.042 4.639 4.640 0.069 0.000 0.234 107 D C 0.363 176.684 176.300 0.034 0.000 1.224 107 D CA -0.470 53.546 54.000 0.028 0.000 0.999 107 D CB -0.159 40.623 40.800 -0.029 0.000 1.072 107 D HN 0.312 nan 8.370 nan 0.000 0.514 108 F N 1.916 121.875 119.950 0.015 0.000 2.512 108 F HA 0.152 4.717 4.527 0.065 0.000 0.296 108 F C 1.597 177.409 175.800 0.021 0.000 1.110 108 F CA -0.023 57.989 58.000 0.019 0.000 1.446 108 F CB -0.575 38.436 39.000 0.017 0.000 1.092 108 F HN 0.169 nan 8.300 nan 0.000 0.554 109 I N 0.520 120.644 120.570 -0.742 0.000 2.233 109 I HA -0.195 4.017 4.170 0.069 0.000 0.243 109 I C 2.473 178.478 176.117 -0.187 0.000 1.093 109 I CA 1.078 62.088 61.300 -0.483 0.000 1.380 109 I CB -0.480 37.178 38.000 -0.570 0.000 1.067 109 I HN 0.288 nan 8.210 nan 0.000 0.413 110 L N 1.028 122.156 121.223 -0.159 0.000 2.017 110 L HA -0.175 4.206 4.340 0.069 0.000 0.208 110 L C 2.623 179.486 176.870 -0.011 0.000 1.073 110 L CA 1.835 56.631 54.840 -0.073 0.000 0.745 110 L CB -0.519 41.504 42.059 -0.061 0.000 0.894 110 L HN 0.038 nan 8.230 nan 0.000 0.432 111 R N -0.588 119.924 120.500 0.020 0.000 2.092 111 R HA -0.150 4.231 4.340 0.069 0.000 0.231 111 R C 2.298 178.657 176.300 0.097 0.000 1.119 111 R CA 1.381 57.523 56.100 0.069 0.000 0.970 111 R CB -0.336 30.019 30.300 0.092 0.000 0.864 111 R HN 0.579 nan 8.270 nan 0.000 0.440 112 E N 1.233 121.494 120.200 0.102 0.000 2.051 112 E HA -0.249 4.143 4.350 0.069 0.000 0.192 112 E C 1.918 178.597 176.600 0.132 0.000 0.991 112 E CA 1.334 57.810 56.400 0.127 0.000 0.799 112 E CB 0.108 29.884 29.700 0.127 0.000 0.748 112 E HN 0.139 nan 8.360 nan 0.000 0.449 113 K N 0.283 120.731 120.400 0.080 0.000 2.009 113 K HA -0.166 4.196 4.320 0.069 0.000 0.210 113 K C 2.176 178.860 176.600 0.139 0.000 1.049 113 K CA 1.603 57.937 56.287 0.078 0.000 0.929 113 K CB -0.105 32.399 32.500 0.006 0.000 0.714 113 K HN 0.154 nan 8.250 nan 0.000 0.440 114 I N 1.331 121.964 120.570 0.104 0.000 2.286 114 I HA -0.215 3.997 4.170 0.069 0.000 0.248 114 I C 2.235 178.480 176.117 0.214 0.000 1.115 114 I CA 1.446 62.835 61.300 0.148 0.000 1.392 114 I CB -1.609 36.438 38.000 0.078 0.000 1.065 114 I HN 0.263 nan 8.210 nan 0.000 0.418 115 T N -0.265 114.403 114.554 0.191 0.000 2.684 115 T HA -0.229 4.162 4.350 0.069 0.000 0.267 115 T C 1.969 176.834 174.700 0.275 0.000 1.036 115 T CA 1.513 63.754 62.100 0.236 0.000 1.148 115 T CB -0.439 68.558 68.868 0.214 0.000 0.863 115 T HN 0.363 nan 8.240 nan 0.000 0.436 116 H N -0.152 119.023 119.070 0.175 0.000 2.357 116 H HA -0.051 4.543 4.556 0.063 0.000 0.301 116 H C 2.203 177.598 175.328 0.111 0.000 1.082 116 H CA 1.444 57.577 56.048 0.141 0.000 1.342 116 H CB -0.417 29.404 29.762 0.098 0.000 1.389 116 H HN 0.382 nan 8.280 nan 0.000 0.511 117 F N 2.191 122.220 119.950 0.131 0.000 2.069 117 F HA -0.227 4.266 4.527 -0.057 0.000 0.298 117 F C 2.042 177.807 175.800 -0.059 0.000 1.113 117 F CA 1.925 59.948 58.000 0.037 0.000 1.214 117 F CB -0.445 38.566 39.000 0.018 0.000 0.978 117 F HN 0.073 nan 8.300 nan 0.000 0.474 118 D N -1.090 119.237 120.400 -0.121 0.000 2.265 118 D HA -0.173 4.508 4.640 0.069 0.000 0.208 118 D C 1.326 177.263 176.300 -0.605 0.000 0.977 118 D CA 1.345 55.117 54.000 -0.381 0.000 0.871 118 D CB -0.414 40.183 40.800 -0.339 0.000 0.925 118 D HN 0.514 nan 8.370 nan 0.000 0.485 119 H N -0.405 118.545 119.070 -0.201 0.000 2.475 119 H HA 0.221 4.855 4.556 0.130 0.000 0.276 119 H C 1.000 176.168 175.328 -0.267 0.000 1.126 119 H CA -0.087 55.840 56.048 -0.202 0.000 1.023 119 H CB 0.533 30.197 29.762 -0.162 0.000 1.669 119 H HN 0.275 nan 8.280 nan 0.000 0.573 120 E N 0.702 120.739 120.200 -0.271 0.000 2.150 120 E HA -0.045 4.347 4.350 0.069 0.000 0.193 120 E C 0.537 176.982 176.600 -0.258 0.000 0.985 120 E CA 0.505 56.718 56.400 -0.311 0.000 0.814 120 E CB 0.442 29.934 29.700 -0.347 0.000 0.752 120 E HN 0.167 nan 8.360 nan 0.000 0.466 121 R N 1.282 121.684 120.500 -0.163 0.000 2.441 121 R HA 0.316 4.698 4.340 0.069 0.000 0.284 121 R C 0.490 176.826 176.300 0.059 0.000 1.070 121 R CA -0.138 55.939 56.100 -0.038 0.000 1.047 121 R CB 0.510 30.782 30.300 -0.046 0.000 1.016 121 R HN 0.189 nan 8.270 nan 0.000 0.477 122 I N -1.034 119.634 120.570 0.163 0.000 2.957 122 I HA 0.587 4.799 4.170 0.069 0.000 0.310 122 I C -2.225 173.955 176.117 0.105 0.000 1.063 122 I CA -2.950 58.436 61.300 0.143 0.000 1.033 122 I CB 1.836 39.950 38.000 0.190 0.000 1.230 122 I HN 0.242 nan 8.210 nan 0.000 0.447 123 P HA 0.078 nan 4.420 nan 0.000 0.266 123 P C -0.889 176.445 177.300 0.056 0.000 1.195 123 P CA -0.001 63.130 63.100 0.051 0.000 0.768 123 P CB 0.401 32.122 31.700 0.034 0.000 0.838 124 E N 2.394 122.629 120.200 0.057 0.000 2.342 124 E HA 0.246 4.637 4.350 0.069 0.000 0.257 124 E C -0.447 176.183 176.600 0.050 0.000 1.150 124 E CA -0.901 55.539 56.400 0.066 0.000 0.926 124 E CB 0.653 30.397 29.700 0.073 0.000 1.074 124 E HN 0.242 nan 8.360 nan 0.000 0.449 125 R N 0.580 121.116 120.500 0.060 0.000 2.679 125 R HA 0.021 4.402 4.340 0.069 0.000 0.268 125 R C 1.077 177.413 176.300 0.060 0.000 1.044 125 R CA -0.159 55.972 56.100 0.052 0.000 1.105 125 R CB 0.223 30.572 30.300 0.082 0.000 0.989 125 R HN 0.613 nan 8.270 nan 0.000 0.447 126 I N 2.593 123.191 120.570 0.048 0.000 2.208 126 I HA -0.191 4.020 4.170 0.069 0.000 0.245 126 I C 0.456 176.630 176.117 0.094 0.000 1.097 126 I CA 1.436 62.773 61.300 0.062 0.000 1.363 126 I CB 0.349 38.388 38.000 0.065 0.000 1.051 126 I HN 0.431 nan 8.210 nan 0.000 0.413 127 V N -3.865 116.139 119.914 0.149 0.000 3.102 127 V HA 0.458 4.619 4.120 0.069 0.000 0.312 127 V C 0.202 176.474 176.094 0.296 0.000 1.135 127 V CA -0.773 61.653 62.300 0.210 0.000 1.022 127 V CB 1.496 33.531 31.823 0.354 0.000 1.056 127 V HN 0.402 nan 8.190 nan 0.000 0.436 128 H N 0.213 119.352 119.070 0.115 0.000 2.899 128 H HA -0.236 4.361 4.556 0.068 0.000 0.282 128 H C 1.606 176.986 175.328 0.086 0.000 1.198 128 H CA 0.793 56.903 56.048 0.102 0.000 1.140 128 H CB -1.217 28.597 29.762 0.086 0.000 1.317 128 H HN 1.182 nan 8.280 nan 0.000 0.375 129 A N 0.853 123.767 122.820 0.156 0.000 1.978 129 A HA -0.144 4.218 4.320 0.069 0.000 0.220 129 A C 1.720 179.395 177.584 0.152 0.000 1.170 129 A CA 1.471 53.588 52.037 0.132 0.000 0.636 129 A CB -0.148 18.908 19.000 0.094 0.000 0.810 129 A HN 0.285 nan 8.150 nan 0.000 0.448 130 R N 0.156 120.743 120.500 0.146 0.000 2.196 130 R HA 0.502 4.884 4.340 0.069 0.000 0.340 130 R C -0.106 176.317 176.300 0.205 0.000 1.043 130 R CA 0.765 56.967 56.100 0.170 0.000 0.883 130 R CB 0.197 30.580 30.300 0.139 0.000 1.078 130 R HN 0.336 nan 8.270 nan 0.000 0.462 131 G N 0.912 109.862 108.800 0.249 0.000 2.698 131 G HA2 0.522 4.523 3.960 0.069 0.000 0.293 131 G HA3 0.522 4.523 3.960 0.069 0.000 0.293 131 G C -1.617 173.448 174.900 0.275 0.000 1.437 131 G CA -0.611 44.609 45.100 0.201 0.000 0.852 131 G HN 0.496 nan 8.290 nan 0.000 0.499 132 S N -1.053 114.752 115.700 0.174 0.000 2.547 132 S HA 0.892 5.404 4.470 0.069 0.000 0.281 132 S C -0.229 174.391 174.600 0.034 0.000 1.118 132 S CA -0.220 58.138 58.200 0.263 0.000 0.947 132 S CB 1.803 65.269 63.200 0.444 0.000 1.053 132 S HN 1.616 nan 8.310 nan 0.000 0.482 133 A N 1.420 124.227 122.820 -0.022 0.000 2.515 133 A HA 1.020 5.381 4.320 0.069 0.000 0.296 133 A C -0.963 176.435 177.584 -0.309 0.000 1.094 133 A CA -0.754 51.048 52.037 -0.391 0.000 0.718 133 A CB 1.621 20.201 19.000 -0.701 0.000 1.307 133 A HN 1.365 nan 8.150 nan 0.000 0.408 134 A N 0.712 123.209 122.820 -0.539 0.000 2.594 134 A HA 0.725 5.086 4.320 0.069 0.000 0.295 134 A C -0.931 176.476 177.584 -0.295 0.000 1.071 134 A CA -0.662 51.213 52.037 -0.270 0.000 0.685 134 A CB 0.732 19.667 19.000 -0.109 0.000 1.285 134 A HN 0.887 nan 8.150 nan 0.000 0.405 135 H N -0.187 118.914 119.070 0.052 0.000 2.551 135 H HA 0.615 5.211 4.556 0.068 0.000 0.358 135 H C 0.691 176.023 175.328 0.008 0.000 1.151 135 H CA 1.071 57.200 56.048 0.136 0.000 1.374 135 H CB 1.674 31.513 29.762 0.128 0.000 1.473 135 H HN 1.099 nan 8.280 nan 0.000 0.574 136 G N 0.563 109.466 108.800 0.171 0.000 2.500 136 G HA2 0.373 4.374 3.960 0.069 0.000 0.299 136 G HA3 0.373 4.374 3.960 0.069 0.000 0.299 136 G C -2.028 173.018 174.900 0.243 0.000 1.242 136 G CA -0.663 44.505 45.100 0.113 0.000 0.859 136 G HN 0.646 nan 8.290 nan 0.000 0.481 137 Y N -1.858 118.484 120.300 0.069 0.000 2.609 137 Y HA 0.829 5.420 4.550 0.069 0.000 0.336 137 Y C -1.721 174.323 175.900 0.240 0.000 1.129 137 Y CA -1.877 56.312 58.100 0.148 0.000 1.040 137 Y CB 1.905 40.423 38.460 0.096 0.000 1.310 137 Y HN 0.813 nan 8.280 nan 0.000 0.460 138 F N 2.143 122.243 119.950 0.251 0.000 2.563 138 F HA 0.696 5.264 4.527 0.069 0.000 0.316 138 F C -1.250 174.736 175.800 0.310 0.000 1.076 138 F CA -0.621 57.526 58.000 0.245 0.000 0.921 138 F CB 2.383 41.672 39.000 0.481 0.000 1.209 138 F HN 0.785 nan 8.300 nan 0.000 0.462 139 Q N 6.945 126.184 119.800 -0.936 0.000 2.268 139 Q HA 0.471 4.852 4.340 0.069 0.000 0.266 139 Q C -2.973 172.384 176.000 -1.071 0.000 1.006 139 Q CA -2.325 53.102 55.803 -0.626 0.000 0.824 139 Q CB 3.038 31.692 28.738 -0.139 0.000 1.306 139 Q HN 0.357 nan 8.270 nan 0.000 0.424 140 P HA 0.067 nan 4.420 nan 0.000 0.281 140 P C -0.395 176.747 177.300 -0.264 0.000 1.249 140 P CA 0.014 62.839 63.100 -0.458 0.000 0.810 140 P CB 0.662 32.290 31.700 -0.119 0.000 1.008 141 Y N 0.990 121.226 120.300 -0.107 0.000 2.242 141 Y HA -0.114 4.478 4.550 0.069 0.000 0.291 141 Y C 1.532 177.405 175.900 -0.045 0.000 1.137 141 Y CA 0.695 58.757 58.100 -0.064 0.000 1.181 141 Y CB 0.109 38.539 38.460 -0.048 0.000 0.989 141 Y HN 0.376 nan 8.280 nan 0.000 0.527 142 K N -1.009 119.455 120.400 0.107 0.000 2.533 142 K HA 0.408 4.769 4.320 0.069 0.000 0.272 142 K C -0.859 175.746 176.600 0.008 0.000 0.985 142 K CA -0.944 55.374 56.287 0.051 0.000 0.876 142 K CB 1.620 34.153 32.500 0.054 0.000 1.452 142 K HN -0.255 nan 8.250 nan 0.000 0.439 143 S N 1.014 116.715 115.700 0.003 0.000 2.537 143 S HA 0.116 4.628 4.470 0.069 0.000 0.286 143 S C 0.347 174.936 174.600 -0.018 0.000 1.299 143 S CA -0.535 57.657 58.200 -0.013 0.000 1.067 143 S CB -0.266 62.929 63.200 -0.007 0.000 0.864 143 S HN 0.547 nan 8.310 nan 0.000 0.494 144 L N 4.924 126.125 121.223 -0.037 0.000 2.928 144 L HA 0.145 4.526 4.340 0.069 0.000 0.246 144 L C 2.009 178.862 176.870 -0.029 0.000 1.239 144 L CA -0.054 54.771 54.840 -0.025 0.000 1.035 144 L CB -0.151 41.895 42.059 -0.021 0.000 1.360 144 L HN 0.849 nan 8.230 nan 0.000 0.529 145 S N -1.797 113.884 115.700 -0.031 0.000 2.442 145 S HA -0.183 4.329 4.470 0.069 0.000 0.236 145 S C 1.279 175.861 174.600 -0.029 0.000 1.007 145 S CA 1.090 59.270 58.200 -0.034 0.000 0.965 145 S CB -0.139 63.045 63.200 -0.026 0.000 0.773 145 S HN 0.397 nan 8.310 nan 0.000 0.504 146 D N 1.991 122.379 120.400 -0.020 0.000 2.219 146 D HA 0.022 4.703 4.640 0.069 0.000 0.205 146 D C 1.807 178.091 176.300 -0.027 0.000 0.970 146 D CA 1.428 55.416 54.000 -0.019 0.000 0.851 146 D CB -0.165 40.630 40.800 -0.010 0.000 0.943 146 D HN 0.812 nan 8.370 nan 0.000 0.488 147 I N -4.148 116.407 120.570 -0.025 0.000 4.323 147 I HA 0.223 4.435 4.170 0.069 0.000 0.328 147 I C 0.446 176.525 176.117 -0.064 0.000 1.310 147 I CA -0.029 61.249 61.300 -0.037 0.000 1.186 147 I CB 1.150 39.149 38.000 -0.002 0.000 1.130 147 I HN -0.252 nan 8.210 nan 0.000 0.411 148 T N 1.606 116.124 114.554 -0.060 0.000 2.993 148 T HA 0.307 4.699 4.350 0.069 0.000 0.312 148 T C 0.058 174.705 174.700 -0.088 0.000 1.115 148 T CA -0.712 61.333 62.100 -0.091 0.000 1.027 148 T CB 1.740 70.546 68.868 -0.105 0.000 1.116 148 T HN 0.416 nan 8.240 nan 0.000 0.464 149 K N 2.599 122.947 120.400 -0.087 0.000 2.505 149 K HA 0.494 4.856 4.320 0.069 0.000 0.192 149 K C 0.780 177.342 176.600 -0.063 0.000 1.025 149 K CA -0.208 56.040 56.287 -0.066 0.000 1.086 149 K CB 0.102 32.570 32.500 -0.053 0.000 0.840 149 K HN 0.497 nan 8.250 nan 0.000 0.514 150 A N 2.235 124.994 122.820 -0.102 0.000 2.545 150 A HA -0.058 4.303 4.320 0.069 0.000 0.253 150 A C 0.534 178.068 177.584 -0.085 0.000 1.074 150 A CA 0.060 52.041 52.037 -0.093 0.000 0.760 150 A CB 0.039 18.918 19.000 -0.203 0.000 1.005 150 A HN 0.443 nan 8.150 nan 0.000 0.506 151 D N 2.203 122.629 120.400 0.044 0.000 2.149 151 D HA -0.226 4.455 4.640 0.069 0.000 0.198 151 D C 1.345 177.708 176.300 0.104 0.000 0.990 151 D CA 2.251 56.294 54.000 0.072 0.000 0.839 151 D CB -0.237 40.631 40.800 0.113 0.000 0.948 151 D HN 0.745 nan 8.370 nan 0.000 0.460 152 F N -0.852 119.113 119.950 0.024 0.000 2.641 152 F HA 0.166 4.735 4.527 0.070 0.000 0.298 152 F C 1.006 176.887 175.800 0.135 0.000 1.146 152 F CA 0.355 58.407 58.000 0.087 0.000 1.464 152 F CB -0.208 38.831 39.000 0.064 0.000 1.101 152 F HN -0.069 nan 8.300 nan 0.000 0.585 153 L N 0.743 121.673 121.223 -0.489 0.000 3.014 153 L HA 0.213 4.594 4.340 0.069 0.000 0.263 153 L C 1.728 178.503 176.870 -0.157 0.000 1.207 153 L CA 0.274 54.888 54.840 -0.377 0.000 1.017 153 L CB 0.060 41.776 42.059 -0.571 0.000 1.360 153 L HN 0.296 nan 8.230 nan 0.000 0.560 154 S N -2.535 113.117 115.700 -0.081 0.000 2.548 154 S HA 0.079 4.590 4.470 0.069 0.000 0.215 154 S C 0.313 174.907 174.600 -0.009 0.000 0.976 154 S CA -0.148 58.029 58.200 -0.039 0.000 0.908 154 S CB 0.169 63.360 63.200 -0.016 0.000 0.781 154 S HN 0.329 nan 8.310 nan 0.000 0.519 155 D N 0.730 121.133 120.400 0.006 0.000 2.738 155 D HA 0.294 4.975 4.640 0.069 0.000 0.218 155 D C -2.487 173.827 176.300 0.023 0.000 1.345 155 D CA -1.655 52.357 54.000 0.020 0.000 0.943 155 D CB 2.019 42.839 40.800 0.033 0.000 1.514 155 D HN -0.166 nan 8.370 nan 0.000 0.585 156 P HA -0.116 nan 4.420 nan 0.000 0.219 156 P C 0.663 177.980 177.300 0.028 0.000 1.146 156 P CA 0.730 63.842 63.100 0.020 0.000 0.808 156 P CB 0.441 32.163 31.700 0.036 0.000 0.779 157 N N -0.233 118.488 118.700 0.035 0.000 2.494 157 N HA -0.044 4.737 4.740 0.069 0.000 0.182 157 N C 0.751 176.294 175.510 0.056 0.000 1.076 157 N CA 0.532 53.606 53.050 0.040 0.000 0.908 157 N CB -0.271 38.237 38.487 0.034 0.000 0.967 157 N HN 0.282 nan 8.380 nan 0.000 0.449 158 K N 1.412 121.854 120.400 0.071 0.000 2.338 158 K HA 0.151 4.512 4.320 0.069 0.000 0.290 158 K C -0.324 176.369 176.600 0.154 0.000 1.069 158 K CA -0.279 56.075 56.287 0.112 0.000 0.941 158 K CB 0.279 32.858 32.500 0.132 0.000 1.023 158 K HN 0.072 nan 8.250 nan 0.000 0.477 159 I N 1.834 122.498 120.570 0.156 0.000 2.359 159 I HA 0.273 4.484 4.170 0.069 0.000 0.294 159 I C -0.822 175.466 176.117 0.285 0.000 0.987 159 I CA 0.216 61.644 61.300 0.214 0.000 1.225 159 I CB 2.014 40.105 38.000 0.151 0.000 1.366 159 I HN 0.334 nan 8.210 nan 0.000 0.466 160 T N 8.473 123.282 114.554 0.425 0.000 2.772 160 T HA 0.494 4.886 4.350 0.069 0.000 0.288 160 T C -2.554 172.413 174.700 0.445 0.000 0.994 160 T CA -1.077 61.297 62.100 0.457 0.000 0.951 160 T CB 1.262 70.505 68.868 0.625 0.000 0.933 160 T HN 0.457 nan 8.240 nan 0.000 0.447 161 P HA 0.302 nan 4.420 nan 0.000 0.269 161 P C -0.688 176.858 177.300 0.410 0.000 1.215 161 P CA -0.461 62.845 63.100 0.343 0.000 0.780 161 P CB 0.561 32.391 31.700 0.217 0.000 0.898 162 V N -0.916 119.184 119.914 0.312 0.000 3.078 162 V HA 0.731 4.892 4.120 0.069 0.000 0.311 162 V C -1.438 174.811 176.094 0.259 0.000 1.138 162 V CA -0.939 61.453 62.300 0.153 0.000 1.007 162 V CB 2.214 33.913 31.823 -0.206 0.000 1.045 162 V HN 0.315 nan 8.190 nan 0.000 0.432 163 F N 2.264 122.190 119.950 -0.041 0.000 2.518 163 F HA 0.858 5.426 4.527 0.068 0.000 0.323 163 F C -0.806 174.894 175.800 -0.166 0.000 1.129 163 F CA -0.800 57.122 58.000 -0.130 0.000 0.920 163 F CB 2.021 40.966 39.000 -0.092 0.000 1.160 163 F HN 0.532 nan 8.300 nan 0.000 0.440 164 V N 6.579 126.050 119.914 -0.739 0.000 2.540 164 V HA 0.560 4.721 4.120 0.069 0.000 0.302 164 V C -0.711 174.707 176.094 -1.126 0.000 1.035 164 V CA -0.858 60.916 62.300 -0.876 0.000 0.873 164 V CB 1.958 33.200 31.823 -0.969 0.000 0.992 164 V HN 0.730 nan 8.190 nan 0.000 0.428 165 R N 3.600 123.410 120.500 -1.149 0.000 2.439 165 R HA 0.649 5.030 4.340 0.069 0.000 0.310 165 R C -1.618 174.051 176.300 -1.052 0.000 0.955 165 R CA -0.416 55.117 56.100 -0.945 0.000 0.853 165 R CB 1.140 31.077 30.300 -0.605 0.000 1.171 165 R HN 0.546 nan 8.270 nan 0.000 0.449 166 F N 1.728 121.259 119.950 -0.698 0.000 2.432 166 F HA 0.549 5.117 4.527 0.068 0.000 0.329 166 F C 0.487 175.937 175.800 -0.583 0.000 1.076 166 F CA -0.287 57.196 58.000 -0.861 0.000 1.018 166 F CB 2.120 40.094 39.000 -1.710 0.000 1.201 166 F HN 0.592 nan 8.300 nan 0.000 0.489 167 S N -1.261 114.363 115.700 -0.126 0.000 2.615 167 S HA 0.621 5.133 4.470 0.069 0.000 0.269 167 S C -0.613 174.119 174.600 0.220 0.000 1.161 167 S CA -0.856 57.411 58.200 0.112 0.000 0.817 167 S CB 1.251 64.565 63.200 0.190 0.000 1.131 167 S HN 0.764 nan 8.310 nan 0.000 0.467 168 T N -1.359 113.317 114.554 0.204 0.000 2.833 168 T HA 0.670 5.061 4.350 0.069 0.000 0.292 168 T C 0.860 175.500 174.700 -0.099 0.000 1.031 168 T CA -0.083 62.090 62.100 0.123 0.000 0.937 168 T CB 0.303 69.254 68.868 0.138 0.000 1.256 168 T HN 0.621 nan 8.240 nan 0.000 0.551 169 V N 0.493 120.313 119.914 -0.155 0.000 2.840 169 V HA 0.051 4.212 4.120 0.069 0.000 0.234 169 V C 2.755 178.771 176.094 -0.130 0.000 1.159 169 V CA 0.551 62.635 62.300 -0.360 0.000 1.194 169 V CB -0.615 31.116 31.823 -0.152 0.000 0.971 169 V HN 0.828 nan 8.190 nan 0.000 0.494 170 Q N 0.992 120.750 119.800 -0.069 0.000 2.033 170 Q HA 0.135 4.517 4.340 0.069 0.000 0.196 170 Q C 1.427 177.403 176.000 -0.039 0.000 0.970 170 Q CA 1.146 56.910 55.803 -0.065 0.000 0.828 170 Q CB -0.392 28.292 28.738 -0.090 0.000 0.895 170 Q HN 0.607 nan 8.270 nan 0.000 0.440 171 G N 0.389 109.178 108.800 -0.019 0.000 2.634 171 G HA2 0.371 4.373 3.960 0.069 0.000 0.255 171 G HA3 0.371 4.373 3.960 0.069 0.000 0.255 171 G C 0.090 174.996 174.900 0.009 0.000 1.205 171 G CA -0.078 45.015 45.100 -0.011 0.000 0.884 171 G HN 0.234 nan 8.290 nan 0.000 0.549 172 G N -1.385 107.417 108.800 0.004 0.000 2.651 172 G HA2 0.480 4.481 3.960 0.069 0.000 0.260 172 G HA3 0.480 4.481 3.960 0.069 0.000 0.260 172 G C 1.313 176.242 174.900 0.047 0.000 1.216 172 G CA 0.434 45.547 45.100 0.021 0.000 0.913 172 G HN 1.092 nan 8.290 nan 0.000 0.535 173 A N -0.648 122.212 122.820 0.066 0.000 2.076 173 A HA 0.120 4.481 4.320 0.069 0.000 0.220 173 A C 2.165 179.786 177.584 0.061 0.000 1.160 173 A CA 1.970 54.066 52.037 0.097 0.000 0.653 173 A CB -0.299 18.777 19.000 0.128 0.000 0.801 173 A HN 1.123 nan 8.150 nan 0.000 0.455 174 G N -0.409 108.409 108.800 0.030 0.000 3.337 174 G HA2 0.342 4.343 3.960 0.069 0.000 0.246 174 G HA3 0.342 4.343 3.960 0.069 0.000 0.246 174 G C 0.663 175.561 174.900 -0.002 0.000 1.131 174 G CA 0.669 45.770 45.100 0.003 0.000 0.773 174 G HN 0.640 nan 8.290 nan 0.000 0.544 175 S N -0.138 115.568 115.700 0.011 0.000 2.661 175 S HA 0.741 5.252 4.470 0.069 0.000 0.265 175 S C 0.453 175.062 174.600 0.016 0.000 1.225 175 S CA -0.097 58.106 58.200 0.005 0.000 0.986 175 S CB 1.595 64.799 63.200 0.007 0.000 1.008 175 S HN 0.558 nan 8.310 nan 0.000 0.565 176 A N 0.298 123.123 122.820 0.009 0.000 2.340 176 A HA 0.403 4.764 4.320 0.069 0.000 0.268 176 A C 0.663 178.263 177.584 0.028 0.000 1.100 176 A CA -0.587 51.452 52.037 0.004 0.000 0.803 176 A CB -0.128 18.857 19.000 -0.024 0.000 1.043 176 A HN 0.857 nan 8.150 nan 0.000 0.488 177 D N 0.767 121.174 120.400 0.012 0.000 2.084 177 D HA -0.091 4.590 4.640 0.069 0.000 0.196 177 D C 1.679 177.954 176.300 -0.041 0.000 0.985 177 D CA 2.344 56.357 54.000 0.022 0.000 0.826 177 D CB -0.319 40.454 40.800 -0.046 0.000 0.978 177 D HN 0.690 nan 8.370 nan 0.000 0.456 178 T N -0.161 114.294 114.554 -0.165 0.000 3.406 178 T HA 0.277 4.669 4.350 0.069 0.000 0.244 178 T C 0.838 175.529 174.700 -0.015 0.000 0.949 178 T CA -0.567 61.437 62.100 -0.160 0.000 0.926 178 T CB -1.014 67.685 68.868 -0.283 0.000 1.089 178 T HN -0.054 nan 8.240 nan 0.000 0.604 179 V N -1.158 118.794 119.914 0.063 0.000 3.237 179 V HA 0.384 4.545 4.120 0.069 0.000 0.305 179 V C 0.736 176.975 176.094 0.240 0.000 1.096 179 V CA -1.342 61.047 62.300 0.149 0.000 1.130 179 V CB 0.308 32.203 31.823 0.121 0.000 1.048 179 V HN 0.587 nan 8.190 nan 0.000 0.484 180 R N 2.608 123.310 120.500 0.336 0.000 2.248 180 R HA 0.435 4.816 4.340 0.069 0.000 0.328 180 R C -0.424 175.961 176.300 0.141 0.000 1.067 180 R CA -0.017 56.229 56.100 0.243 0.000 0.924 180 R CB -0.130 30.245 30.300 0.125 0.000 1.013 180 R HN 1.049 nan 8.270 nan 0.000 0.454 181 N N 4.161 122.956 118.700 0.158 0.000 2.745 181 N HA 0.181 4.962 4.740 0.069 0.000 0.256 181 N C -0.823 174.805 175.510 0.196 0.000 1.268 181 N CA -0.808 52.325 53.050 0.140 0.000 0.887 181 N CB 1.269 39.832 38.487 0.127 0.000 1.575 181 N HN 0.305 nan 8.380 nan 0.000 0.496 182 I N 1.747 122.454 120.570 0.228 0.000 2.993 182 I HA 0.093 4.304 4.170 0.069 0.000 0.286 182 I C 0.656 176.917 176.117 0.241 0.000 1.215 182 I CA 0.475 61.921 61.300 0.243 0.000 1.393 182 I CB -0.016 38.160 38.000 0.292 0.000 1.371 182 I HN 0.363 nan 8.210 nan 0.000 0.602 183 R N 2.714 123.377 120.500 0.272 0.000 2.711 183 R HA 0.543 4.924 4.340 0.069 0.000 0.284 183 R C -0.069 176.428 176.300 0.327 0.000 0.968 183 R CA -0.773 55.501 56.100 0.291 0.000 0.924 183 R CB 1.484 31.977 30.300 0.321 0.000 1.162 183 R HN 0.799 nan 8.270 nan 0.000 0.465 184 G N 0.893 109.905 108.800 0.353 0.000 2.444 184 G HA2 0.447 4.449 3.960 0.069 0.000 0.268 184 G HA3 0.447 4.449 3.960 0.069 0.000 0.268 184 G C -1.240 173.747 174.900 0.145 0.000 1.203 184 G CA -0.011 45.273 45.100 0.308 0.000 0.835 184 G HN 0.345 nan 8.290 nan 0.000 0.543 185 F N 1.788 121.643 119.950 -0.158 0.000 3.034 185 F HA 0.634 5.202 4.527 0.069 0.000 0.371 185 F C -0.301 175.201 175.800 -0.496 0.000 1.233 185 F CA -1.814 55.981 58.000 -0.342 0.000 1.134 185 F CB 1.105 40.024 39.000 -0.135 0.000 1.495 185 F HN 0.680 nan 8.300 nan 0.000 0.563 186 A N 3.446 126.003 122.820 -0.438 0.000 2.318 186 A HA 0.804 5.165 4.320 0.069 0.000 0.317 186 A C -0.741 176.364 177.584 -0.798 0.000 1.159 186 A CA -0.483 51.112 52.037 -0.737 0.000 0.799 186 A CB 1.001 19.198 19.000 -1.338 0.000 1.194 186 A HN 0.538 nan 8.150 nan 0.000 0.479 187 T N 2.278 116.522 114.554 -0.517 0.000 2.840 187 T HA 0.405 4.797 4.350 0.069 0.000 0.287 187 T C -0.424 174.031 174.700 -0.409 0.000 0.991 187 T CA -0.484 61.311 62.100 -0.509 0.000 0.964 187 T CB 1.070 69.576 68.868 -0.604 0.000 0.954 187 T HN 0.654 nan 8.240 nan 0.000 0.438 188 K N 3.626 123.879 120.400 -0.245 0.000 2.263 188 K HA 0.482 4.843 4.320 0.069 0.000 0.272 188 K C -1.317 174.937 176.600 -0.577 0.000 1.033 188 K CA -0.607 55.472 56.287 -0.346 0.000 0.884 188 K CB 0.442 32.708 32.500 -0.389 0.000 1.107 188 K HN 0.394 nan 8.250 nan 0.000 0.460 189 F N 4.143 123.809 119.950 -0.474 0.000 2.405 189 F HA 0.248 4.817 4.527 0.069 0.000 0.355 189 F C -0.441 175.162 175.800 -0.330 0.000 1.121 189 F CA -0.627 57.160 58.000 -0.355 0.000 1.112 189 F CB 0.769 39.485 39.000 -0.473 0.000 1.126 189 F HN 0.455 nan 8.300 nan 0.000 0.481 190 Y N 1.897 122.270 120.300 0.121 0.000 2.714 190 Y HA 0.217 4.807 4.550 0.068 0.000 0.333 190 Y C 0.988 176.952 175.900 0.108 0.000 1.220 190 Y CA -0.885 57.263 58.100 0.080 0.000 1.513 190 Y CB -0.155 38.340 38.460 0.059 0.000 1.435 190 Y HN 0.538 nan 8.280 nan 0.000 0.489 191 T N -2.518 112.139 114.554 0.171 0.000 2.847 191 T HA 0.171 4.562 4.350 0.069 0.000 0.279 191 T C 0.943 175.740 174.700 0.161 0.000 0.984 191 T CA -0.738 61.467 62.100 0.174 0.000 0.988 191 T CB 1.064 70.010 68.868 0.130 0.000 1.040 191 T HN 0.642 nan 8.240 nan 0.000 0.528 192 E N 0.033 120.330 120.200 0.161 0.000 2.478 192 E HA -0.025 4.366 4.350 0.069 0.000 0.198 192 E C 0.874 177.541 176.600 0.112 0.000 1.046 192 E CA 0.594 57.071 56.400 0.127 0.000 0.870 192 E CB 0.080 29.850 29.700 0.116 0.000 0.818 192 E HN 0.742 nan 8.360 nan 0.000 0.527 193 E N 0.415 120.684 120.200 0.115 0.000 2.651 193 E HA 0.278 4.670 4.350 0.069 0.000 0.208 193 E C 0.135 176.784 176.600 0.083 0.000 0.997 193 E CA -0.260 56.200 56.400 0.100 0.000 1.020 193 E CB 1.279 31.041 29.700 0.102 0.000 1.052 193 E HN 0.189 nan 8.360 nan 0.000 0.465 194 G N 1.209 110.054 108.800 0.074 0.000 2.406 194 G HA2 -0.103 3.898 3.960 0.069 0.000 0.680 194 G HA3 -0.103 3.898 3.960 0.069 0.000 0.680 194 G C -0.792 174.124 174.900 0.026 0.000 1.338 194 G CA -1.125 43.997 45.100 0.038 0.000 0.941 194 G HN 0.088 nan 8.290 nan 0.000 0.633 195 I N 0.835 121.388 120.570 -0.028 0.000 2.533 195 I HA 0.307 4.518 4.170 0.069 0.000 0.284 195 I C 0.040 176.176 176.117 0.033 0.000 1.109 195 I CA 0.004 61.265 61.300 -0.065 0.000 1.412 195 I CB 0.720 38.616 38.000 -0.174 0.000 1.396 195 I HN 0.436 nan 8.210 nan 0.000 0.543 196 F N 7.130 126.983 119.950 -0.162 0.000 2.402 196 F HA 0.421 4.990 4.527 0.070 0.000 0.355 196 F C -0.562 175.211 175.800 -0.045 0.000 1.123 196 F CA -1.198 56.706 58.000 -0.160 0.000 1.021 196 F CB 0.664 39.411 39.000 -0.421 0.000 1.160 196 F HN 0.331 nan 8.300 nan 0.000 0.451 197 D N 6.827 127.050 120.400 -0.295 0.000 2.233 197 D HA 0.249 4.930 4.640 0.069 0.000 0.240 197 D C -0.628 175.182 176.300 -0.817 0.000 1.074 197 D CA 0.011 53.749 54.000 -0.435 0.000 0.838 197 D CB 2.318 43.054 40.800 -0.105 0.000 1.124 197 D HN 0.634 nan 8.370 nan 0.000 0.475 198 L N 3.230 123.932 121.223 -0.869 0.000 2.297 198 L HA 0.280 4.661 4.340 0.069 0.000 0.277 198 L C -1.005 175.632 176.870 -0.388 0.000 1.040 198 L CA -0.621 53.793 54.840 -0.710 0.000 0.867 198 L CB 0.680 42.339 42.059 -0.667 0.000 1.244 198 L HN 0.051 nan 8.230 nan 0.000 0.433 199 V N 5.238 124.965 119.914 -0.312 0.000 2.270 199 V HA 0.513 4.675 4.120 0.069 0.000 0.263 199 V C 0.775 176.767 176.094 -0.170 0.000 1.066 199 V CA -0.307 61.827 62.300 -0.276 0.000 0.857 199 V CB 0.603 32.226 31.823 -0.333 0.000 1.099 199 V HN 0.806 nan 8.190 nan 0.000 0.476 200 G N 3.260 111.975 108.800 -0.142 0.000 2.735 200 G HA2 0.679 4.680 3.960 0.069 0.000 0.301 200 G HA3 0.679 4.680 3.960 0.069 0.000 0.301 200 G C -0.908 174.014 174.900 0.036 0.000 1.279 200 G CA -0.594 44.476 45.100 -0.050 0.000 1.019 200 G HN 0.475 nan 8.290 nan 0.000 0.497 201 N N -1.089 117.680 118.700 0.114 0.000 2.966 201 N HA 0.275 5.057 4.740 0.069 0.000 0.314 201 N C 0.229 175.917 175.510 0.297 0.000 1.397 201 N CA -0.758 52.424 53.050 0.220 0.000 0.776 201 N CB 1.316 39.931 38.487 0.213 0.000 1.576 201 N HN 0.532 nan 8.380 nan 0.000 0.592 202 N N -1.366 117.528 118.700 0.322 0.000 2.251 202 N HA 0.028 4.809 4.740 0.069 0.000 0.217 202 N C -0.664 175.111 175.510 0.443 0.000 1.124 202 N CA -0.170 53.121 53.050 0.403 0.000 0.843 202 N CB -0.112 38.592 38.487 0.361 0.000 1.024 202 N HN 0.530 nan 8.380 nan 0.000 0.501 203 T N -3.539 111.121 114.554 0.176 0.000 2.906 203 T HA 0.468 4.859 4.350 0.069 0.000 0.295 203 T C -2.670 171.454 174.700 -0.960 0.000 1.061 203 T CA -1.563 60.221 62.100 -0.525 0.000 1.000 203 T CB 2.973 71.401 68.868 -0.732 0.000 1.103 203 T HN -0.251 nan 8.240 nan 0.000 0.486 204 P HA 0.213 nan 4.420 nan 0.000 0.249 204 P C 0.402 177.159 177.300 -0.905 0.000 1.229 204 P CA 0.045 62.209 63.100 -1.561 0.000 0.788 204 P CB -0.070 30.663 31.700 -1.611 0.000 1.072 205 I N -4.698 115.318 120.570 -0.924 0.000 3.264 205 I HA 0.547 4.758 4.170 0.069 0.000 0.315 205 I C -1.369 174.462 176.117 -0.476 0.000 1.154 205 I CA -1.815 59.102 61.300 -0.639 0.000 0.962 205 I CB 1.579 39.152 38.000 -0.713 0.000 1.265 205 I HN -0.252 nan 8.210 nan 0.000 0.463 206 F N 0.360 120.018 119.950 -0.486 0.000 2.613 206 F HA 0.505 5.073 4.527 0.069 0.000 0.342 206 F C 0.429 175.983 175.800 -0.411 0.000 1.066 206 F CA -0.710 57.041 58.000 -0.415 0.000 1.002 206 F CB 1.898 40.784 39.000 -0.190 0.000 1.319 206 F HN 0.398 nan 8.300 nan 0.000 0.495 207 F N 1.975 121.219 119.950 -1.177 0.000 2.259 207 F HA 0.048 4.617 4.527 0.069 0.000 0.298 207 F C 0.675 176.212 175.800 -0.438 0.000 1.088 207 F CA 0.761 58.226 58.000 -0.891 0.000 1.358 207 F CB -0.045 37.962 39.000 -1.655 0.000 1.040 207 F HN 0.122 nan 8.300 nan 0.000 0.505 208 I N -3.197 117.374 120.570 0.002 0.000 2.892 208 I HA 0.357 4.569 4.170 0.069 0.000 0.306 208 I C 0.315 176.588 176.117 0.261 0.000 1.078 208 I CA -0.840 60.565 61.300 0.175 0.000 1.032 208 I CB 1.924 40.080 38.000 0.259 0.000 1.229 208 I HN -0.133 nan 8.210 nan 0.000 0.435 209 Q N 0.486 120.437 119.800 0.253 0.000 2.259 209 Q HA 0.129 4.510 4.340 0.069 0.000 0.201 209 Q C -0.270 175.899 176.000 0.283 0.000 0.938 209 Q CA 0.692 56.684 55.803 0.313 0.000 0.872 209 Q CB 0.426 29.420 28.738 0.427 0.000 0.971 209 Q HN 0.648 nan 8.270 nan 0.000 0.494 210 D N -1.098 119.439 120.400 0.229 0.000 2.505 210 D HA 0.306 4.987 4.640 0.069 0.000 0.249 210 D C 0.064 176.485 176.300 0.202 0.000 1.082 210 D CA -0.222 53.879 54.000 0.169 0.000 0.839 210 D CB 1.815 42.687 40.800 0.120 0.000 1.317 210 D HN 0.034 nan 8.370 nan 0.000 0.497 211 A N 3.352 126.261 122.820 0.147 0.000 2.032 211 A HA -0.260 4.101 4.320 0.069 0.000 0.221 211 A C 1.797 179.500 177.584 0.198 0.000 1.165 211 A CA 1.886 54.008 52.037 0.141 0.000 0.645 211 A CB -0.817 18.215 19.000 0.054 0.000 0.807 211 A HN 0.825 nan 8.150 nan 0.000 0.453 212 H N -0.061 119.071 119.070 0.103 0.000 2.456 212 H HA -0.012 4.585 4.556 0.069 0.000 0.296 212 H C 1.560 176.969 175.328 0.134 0.000 1.079 212 H CA 1.858 57.959 56.048 0.089 0.000 1.322 212 H CB 0.115 29.904 29.762 0.045 0.000 1.388 212 H HN 0.373 nan 8.280 nan 0.000 0.538 213 K N -0.480 120.054 120.400 0.225 0.000 2.404 213 K HA -0.044 4.317 4.320 0.069 0.000 0.194 213 K C 1.472 178.209 176.600 0.229 0.000 1.023 213 K CA -0.003 56.414 56.287 0.217 0.000 1.094 213 K CB 0.022 32.709 32.500 0.311 0.000 0.841 213 K HN 0.305 nan 8.250 nan 0.000 0.523 214 F N 3.089 123.098 119.950 0.098 0.000 2.091 214 F HA -0.181 4.387 4.527 0.068 0.000 0.299 214 F C -0.922 174.895 175.800 0.028 0.000 1.103 214 F CA 1.576 59.657 58.000 0.135 0.000 1.228 214 F CB -0.537 38.534 39.000 0.119 0.000 0.984 214 F HN 0.035 nan 8.300 nan 0.000 0.477 215 P HA -0.139 nan 4.420 nan 0.000 0.218 215 P C 0.952 177.947 177.300 -0.508 0.000 1.149 215 P CA 1.714 64.590 63.100 -0.374 0.000 0.817 215 P CB -0.068 31.429 31.700 -0.339 0.000 0.785 216 D N -1.265 118.975 120.400 -0.267 0.000 2.084 216 D HA -0.144 4.537 4.640 0.069 0.000 0.196 216 D C 1.795 177.804 176.300 -0.485 0.000 0.985 216 D CA 1.052 54.925 54.000 -0.212 0.000 0.826 216 D CB -0.857 39.992 40.800 0.081 0.000 0.978 216 D HN 0.157 nan 8.370 nan 0.000 0.456 217 F N 1.765 121.286 119.950 -0.714 0.000 2.134 217 F HA -0.205 4.364 4.527 0.069 0.000 0.299 217 F C 2.193 177.611 175.800 -0.637 0.000 1.097 217 F CA 1.099 58.481 58.000 -1.030 0.000 1.264 217 F CB -0.108 38.528 39.000 -0.605 0.000 1.001 217 F HN -0.249 nan 8.300 nan 0.000 0.479 218 V N 0.121 119.651 119.914 -0.640 0.000 2.379 218 V HA -0.283 3.878 4.120 0.069 0.000 0.245 218 V C 2.257 178.158 176.094 -0.322 0.000 1.044 218 V CA 2.245 64.206 62.300 -0.566 0.000 1.036 218 V CB -0.995 30.505 31.823 -0.539 0.000 0.664 218 V HN 0.445 nan 8.190 nan 0.000 0.453 219 H N -0.028 118.829 119.070 -0.354 0.000 2.390 219 H HA -0.184 4.414 4.556 0.069 0.000 0.298 219 H C 2.322 177.512 175.328 -0.229 0.000 1.106 219 H CA 1.164 57.078 56.048 -0.224 0.000 1.297 219 H CB 0.042 29.720 29.762 -0.140 0.000 1.375 219 H HN 0.487 nan 8.280 nan 0.000 0.509 220 A N 0.372 123.039 122.820 -0.256 0.000 1.930 220 A HA -0.106 4.256 4.320 0.069 0.000 0.217 220 A C 2.519 179.968 177.584 -0.226 0.000 1.175 220 A CA 1.398 53.279 52.037 -0.261 0.000 0.627 220 A CB -0.641 18.087 19.000 -0.452 0.000 0.815 220 A HN 0.307 nan 8.150 nan 0.000 0.443 221 V N -0.232 119.434 119.914 -0.413 0.000 2.649 221 V HA 0.005 4.166 4.120 0.069 0.000 0.248 221 V C 0.946 177.001 176.094 -0.065 0.000 1.054 221 V CA 0.776 62.869 62.300 -0.344 0.000 1.073 221 V CB -0.443 30.957 31.823 -0.706 0.000 0.699 221 V HN 0.352 nan 8.190 nan 0.000 0.463 222 K N 1.027 121.359 120.400 -0.114 0.000 2.234 222 K HA 0.175 4.537 4.320 0.069 0.000 0.251 222 K C -2.273 174.279 176.600 -0.081 0.000 1.011 222 K CA -1.376 54.857 56.287 -0.089 0.000 0.889 222 K CB -0.488 31.952 32.500 -0.100 0.000 1.011 222 K HN 0.198 nan 8.250 nan 0.000 0.505 223 P HA 0.002 nan 4.420 nan 0.000 0.265 223 P C -0.611 176.623 177.300 -0.110 0.000 1.193 223 P CA 0.325 63.284 63.100 -0.234 0.000 0.765 223 P CB 0.352 31.920 31.700 -0.219 0.000 0.823 224 E N 5.405 125.583 120.200 -0.037 0.000 2.413 224 E HA -0.032 4.359 4.350 0.069 0.000 0.263 224 E C -1.205 175.460 176.600 0.108 0.000 1.015 224 E CA -1.158 55.329 56.400 0.145 0.000 0.916 224 E CB 0.121 30.036 29.700 0.358 0.000 0.947 224 E HN 0.430 nan 8.360 nan 0.000 0.440 225 P HA -0.213 nan 4.420 nan 0.000 0.221 225 P C 1.046 178.413 177.300 0.112 0.000 1.150 225 P CA 1.410 64.547 63.100 0.062 0.000 0.800 225 P CB 0.016 31.736 31.700 0.033 0.000 0.787 226 H N -0.621 118.489 119.070 0.068 0.000 2.299 226 H HA -0.091 4.507 4.556 0.070 0.000 0.302 226 H C 1.558 176.989 175.328 0.173 0.000 1.078 226 H CA 1.587 57.665 56.048 0.050 0.000 1.323 226 H CB -1.363 28.360 29.762 -0.065 0.000 1.381 226 H HN 0.296 nan 8.280 nan 0.000 0.498 227 W N 0.010 120.947 121.300 -0.605 0.000 2.871 227 W HA 0.688 5.389 4.660 0.069 0.000 0.340 227 W C 0.554 176.910 176.519 -0.271 0.000 1.058 227 W CA -0.824 56.298 57.345 -0.372 0.000 1.633 227 W CB -0.703 28.529 29.460 -0.380 0.000 1.067 227 W HN 0.464 nan 8.180 nan 0.000 0.554 228 A N 1.209 123.992 122.820 -0.061 0.000 2.734 228 A HA -0.135 4.226 4.320 0.069 0.000 0.296 228 A C -0.432 176.909 177.584 -0.406 0.000 1.474 228 A CA 1.346 53.269 52.037 -0.191 0.000 0.735 228 A CB -2.423 16.502 19.000 -0.126 0.000 1.062 228 A HN 0.454 nan 8.150 nan 0.000 0.463 229 I N 0.288 120.461 120.570 -0.661 0.000 2.686 229 I HA 0.568 4.780 4.170 0.069 0.000 0.295 229 I C -2.531 173.244 176.117 -0.571 0.000 1.114 229 I CA -2.387 58.426 61.300 -0.813 0.000 1.038 229 I CB 2.995 39.997 38.000 -1.663 0.000 1.238 229 I HN 0.196 nan 8.210 nan 0.000 0.420 230 P HA 0.330 nan 4.420 nan 0.000 0.292 230 P C -1.573 175.556 177.300 -0.285 0.000 1.308 230 P CA -0.916 61.951 63.100 -0.389 0.000 0.933 230 P CB 1.450 32.999 31.700 -0.251 0.000 1.217 231 Q N 0.655 120.334 119.800 -0.202 0.000 2.288 231 Q HA 0.477 4.858 4.340 0.069 0.000 0.258 231 Q C 1.171 177.125 176.000 -0.077 0.000 0.957 231 Q CA 1.255 56.977 55.803 -0.134 0.000 0.919 231 Q CB -0.461 28.211 28.738 -0.111 0.000 1.185 231 Q HN 0.827 nan 8.270 nan 0.000 0.408 232 G N 3.234 111.997 108.800 -0.061 0.000 2.155 232 G HA2 -0.285 3.716 3.960 0.069 0.000 0.257 232 G HA3 -0.285 3.716 3.960 0.069 0.000 0.257 232 G C -0.305 174.600 174.900 0.009 0.000 0.983 232 G CA 0.433 45.522 45.100 -0.017 0.000 0.676 232 G HN 0.544 nan 8.290 nan 0.000 0.528 233 Q N -0.661 119.134 119.800 -0.009 0.000 2.305 233 Q HA 0.555 4.936 4.340 0.069 0.000 0.271 233 Q C 0.855 176.866 176.000 0.018 0.000 1.046 233 Q CA -0.061 55.767 55.803 0.042 0.000 0.798 233 Q CB 1.813 30.616 28.738 0.109 0.000 1.286 233 Q HN 0.449 nan 8.270 nan 0.000 0.435 234 S N -0.171 115.443 115.700 -0.144 0.000 2.593 234 S HA 0.125 4.636 4.470 0.069 0.000 0.217 234 S C 0.977 175.535 174.600 -0.071 0.000 0.966 234 S CA 0.093 57.998 58.200 -0.491 0.000 0.914 234 S CB 0.216 62.619 63.200 -1.328 0.000 0.776 234 S HN 0.595 nan 8.310 nan 0.000 0.523 235 A N 2.129 125.089 122.820 0.234 0.000 3.051 235 A HA 0.481 4.842 4.320 0.069 0.000 0.257 235 A C 0.177 177.988 177.584 0.378 0.000 1.785 235 A CA -0.579 51.666 52.037 0.347 0.000 1.420 235 A CB -1.294 17.834 19.000 0.214 0.000 1.063 235 A HN 0.920 nan 8.150 nan 0.000 0.630 236 H N -4.191 115.060 119.070 0.303 0.000 3.017 236 H HA 0.527 5.125 4.556 0.070 0.000 0.346 236 H C -0.145 175.374 175.328 0.318 0.000 1.286 236 H CA -0.746 55.451 56.048 0.247 0.000 1.120 236 H CB 0.335 30.202 29.762 0.176 0.000 1.860 236 H HN 0.048 nan 8.280 nan 0.000 0.542 237 D N 0.247 120.815 120.400 0.280 0.000 2.126 237 D HA -0.232 4.450 4.640 0.069 0.000 0.190 237 D C 2.120 178.477 176.300 0.095 0.000 1.001 237 D CA 3.298 57.399 54.000 0.168 0.000 0.841 237 D CB -0.338 40.542 40.800 0.132 0.000 0.949 237 D HN 0.790 nan 8.370 nan 0.000 0.446 238 T N -1.776 112.822 114.554 0.072 0.000 2.821 238 T HA -0.176 4.215 4.350 0.069 0.000 0.267 238 T C 1.892 176.538 174.700 -0.091 0.000 1.046 238 T CA 0.618 62.736 62.100 0.030 0.000 1.139 238 T CB -0.678 68.256 68.868 0.111 0.000 0.871 238 T HN 0.147 nan 8.240 nan 0.000 0.454 239 F N 0.926 120.578 119.950 -0.496 0.000 2.075 239 F HA 0.060 4.628 4.527 0.069 0.000 0.297 239 F C 1.859 177.404 175.800 -0.426 0.000 1.113 239 F CA 0.759 58.394 58.000 -0.609 0.000 1.218 239 F CB -0.659 37.782 39.000 -0.932 0.000 0.984 239 F HN 0.156 nan 8.300 nan 0.000 0.472 240 W N 0.599 121.816 121.300 -0.138 0.000 2.467 240 W HA -0.094 4.608 4.660 0.069 0.000 0.275 240 W C 2.340 178.771 176.519 -0.147 0.000 1.239 240 W CA 1.025 58.274 57.345 -0.160 0.000 1.266 240 W CB -0.693 28.767 29.460 -0.000 0.000 1.112 240 W HN 0.072 nan 8.180 nan 0.000 0.576 241 D N -0.409 120.029 120.400 0.063 0.000 2.103 241 D HA -0.316 4.365 4.640 0.069 0.000 0.190 241 D C 1.880 178.177 176.300 -0.005 0.000 0.997 241 D CA 1.714 55.734 54.000 0.033 0.000 0.833 241 D CB -0.680 40.149 40.800 0.049 0.000 0.961 241 D HN 0.194 nan 8.370 nan 0.000 0.447 242 Y N 0.373 120.569 120.300 -0.172 0.000 2.081 242 Y HA -0.262 4.330 4.550 0.070 0.000 0.280 242 Y C 2.380 178.151 175.900 -0.216 0.000 1.163 242 Y CA 1.854 59.839 58.100 -0.193 0.000 1.135 242 Y CB -0.486 37.814 38.460 -0.267 0.000 0.970 242 Y HN -0.091 nan 8.280 nan 0.000 0.498 243 V N 0.106 119.889 119.914 -0.219 0.000 2.255 243 V HA -0.379 3.782 4.120 0.069 0.000 0.247 243 V C 2.614 178.648 176.094 -0.101 0.000 1.051 243 V CA 2.342 64.512 62.300 -0.217 0.000 1.018 243 V CB -1.344 30.255 31.823 -0.375 0.000 0.641 243 V HN 0.680 nan 8.190 nan 0.000 0.445 244 S N -0.048 115.641 115.700 -0.018 0.000 2.420 244 S HA -0.161 4.350 4.470 0.069 0.000 0.237 244 S C 1.731 176.298 174.600 -0.056 0.000 1.023 244 S CA 1.802 60.011 58.200 0.015 0.000 0.991 244 S CB -0.572 62.663 63.200 0.060 0.000 0.792 244 S HN 0.564 nan 8.310 nan 0.000 0.488 245 L N -0.124 121.016 121.223 -0.138 0.000 2.585 245 L HA 0.305 4.686 4.340 0.069 0.000 0.226 245 L C 0.576 177.272 176.870 -0.290 0.000 1.113 245 L CA 0.149 54.881 54.840 -0.181 0.000 0.876 245 L CB 0.017 41.972 42.059 -0.174 0.000 1.072 245 L HN 0.270 nan 8.230 nan 0.000 0.468 246 Q N 0.176 119.759 119.800 -0.362 0.000 3.244 246 Q HA 0.227 4.608 4.340 0.069 0.000 0.249 246 Q C -1.952 173.831 176.000 -0.361 0.000 0.951 246 Q CA -1.426 54.122 55.803 -0.425 0.000 0.740 246 Q CB 1.505 29.872 28.738 -0.618 0.000 1.334 246 Q HN -0.013 nan 8.270 nan 0.000 0.448 247 P HA -0.239 nan 4.420 nan 0.000 0.221 247 P C 1.062 178.091 177.300 -0.452 0.000 1.145 247 P CA 1.240 64.088 63.100 -0.419 0.000 0.795 247 P CB 0.243 31.596 31.700 -0.577 0.000 0.775 248 E N 0.622 120.450 120.200 -0.619 0.000 2.219 248 E HA -0.199 4.193 4.350 0.069 0.000 0.198 248 E C 1.459 178.039 176.600 -0.032 0.000 0.998 248 E CA 1.922 58.210 56.400 -0.186 0.000 0.818 248 E CB -1.353 28.308 29.700 -0.065 0.000 0.741 248 E HN 0.302 nan 8.360 nan 0.000 0.477 249 T N -0.735 113.800 114.554 -0.031 0.000 3.072 249 T HA 0.027 4.418 4.350 0.069 0.000 0.266 249 T C 1.922 176.710 174.700 0.146 0.000 1.127 249 T CA 0.416 62.566 62.100 0.084 0.000 1.107 249 T CB -0.300 68.650 68.868 0.137 0.000 0.910 249 T HN 0.153 nan 8.240 nan 0.000 0.513 250 L N -0.005 121.297 121.223 0.132 0.000 2.131 250 L HA -0.062 4.320 4.340 0.069 0.000 0.210 250 L C 2.836 179.887 176.870 0.302 0.000 1.092 250 L CA 1.733 56.720 54.840 0.245 0.000 0.759 250 L CB -0.772 41.436 42.059 0.249 0.000 0.903 250 L HN 0.472 nan 8.230 nan 0.000 0.435 251 H N 0.103 119.233 119.070 0.100 0.000 2.293 251 H HA -0.211 4.387 4.556 0.069 0.000 0.300 251 H C 2.175 177.521 175.328 0.029 0.000 1.082 251 H CA 1.868 57.972 56.048 0.093 0.000 1.308 251 H CB 0.215 29.991 29.762 0.023 0.000 1.375 251 H HN 0.363 nan 8.280 nan 0.000 0.495 252 N N -0.225 118.334 118.700 -0.235 0.000 2.244 252 N HA -0.129 4.653 4.740 0.069 0.000 0.183 252 N C 1.939 177.328 175.510 -0.203 0.000 1.016 252 N CA 0.738 53.435 53.050 -0.587 0.000 0.866 252 N CB 0.266 37.890 38.487 -1.439 0.000 0.980 252 N HN 0.118 nan 8.380 nan 0.000 0.430 253 V N 1.594 121.603 119.914 0.159 0.000 2.407 253 V HA -0.247 3.914 4.120 0.069 0.000 0.248 253 V C 2.457 178.723 176.094 0.287 0.000 1.055 253 V CA 1.236 63.767 62.300 0.385 0.000 1.049 253 V CB -0.346 31.754 31.823 0.462 0.000 0.662 253 V HN 0.416 nan 8.190 nan 0.000 0.455 254 M N -1.662 118.136 119.600 0.331 0.000 2.086 254 M HA -0.198 4.323 4.480 0.069 0.000 0.261 254 M C 2.101 178.455 176.300 0.089 0.000 1.067 254 M CA 1.896 57.403 55.300 0.345 0.000 1.116 254 M CB -1.113 31.736 32.600 0.414 0.000 1.348 254 M HN 0.465 nan 8.290 nan 0.000 0.407 255 W N 0.604 121.681 121.300 -0.372 0.000 2.335 255 W HA -0.145 4.557 4.660 0.069 0.000 0.311 255 W C 2.812 179.285 176.519 -0.076 0.000 1.213 255 W CA 1.962 59.056 57.345 -0.418 0.000 1.274 255 W CB -1.081 28.044 29.460 -0.558 0.000 1.148 255 W HN 0.290 nan 8.180 nan 0.000 0.498 256 A N -0.749 122.176 122.820 0.175 0.000 1.930 256 A HA -0.180 4.181 4.320 0.069 0.000 0.217 256 A C 1.941 179.586 177.584 0.102 0.000 1.175 256 A CA 1.713 53.852 52.037 0.169 0.000 0.627 256 A CB -0.624 18.515 19.000 0.232 0.000 0.815 256 A HN 0.103 nan 8.150 nan 0.000 0.443 257 M N 0.772 120.391 119.600 0.032 0.000 2.394 257 M HA -0.003 4.518 4.480 0.069 0.000 0.264 257 M C 1.547 177.886 176.300 0.066 0.000 1.073 257 M CA 0.884 56.132 55.300 -0.087 0.000 1.111 257 M CB -1.483 30.812 32.600 -0.508 0.000 1.401 257 M HN 0.559 nan 8.290 nan 0.000 0.448 258 S N 0.300 116.105 115.700 0.175 0.000 2.626 258 S HA 0.065 4.576 4.470 0.069 0.000 0.257 258 S C 0.796 175.528 174.600 0.220 0.000 1.288 258 S CA -0.373 57.967 58.200 0.234 0.000 0.980 258 S CB 0.916 64.303 63.200 0.310 0.000 0.975 258 S HN 0.197 nan 8.310 nan 0.000 0.577 259 D N 0.232 120.782 120.400 0.251 0.000 2.348 259 D HA 0.024 4.705 4.640 0.069 0.000 0.216 259 D C 1.965 178.415 176.300 0.251 0.000 0.970 259 D CA 0.339 54.509 54.000 0.284 0.000 0.889 259 D CB -0.180 40.861 40.800 0.401 0.000 0.912 259 D HN 0.363 nan 8.370 nan 0.000 0.524 260 R N 0.393 121.034 120.500 0.236 0.000 2.133 260 R HA -0.106 4.276 4.340 0.069 0.000 0.247 260 R C 2.138 178.600 176.300 0.269 0.000 1.151 260 R CA 1.197 57.462 56.100 0.275 0.000 0.971 260 R CB -1.159 29.367 30.300 0.377 0.000 0.866 260 R HN 0.227 nan 8.270 nan 0.000 0.447 261 G N 1.221 110.167 108.800 0.244 0.000 2.625 261 G HA2 -0.065 3.937 3.960 0.069 0.000 0.214 261 G HA3 -0.065 3.937 3.960 0.069 0.000 0.214 261 G C 1.013 176.060 174.900 0.245 0.000 1.132 261 G CA 0.336 45.571 45.100 0.226 0.000 0.782 261 G HN 0.452 nan 8.290 nan 0.000 0.538 262 I N -1.933 118.792 120.570 0.259 0.000 2.926 262 I HA 0.352 4.564 4.170 0.069 0.000 0.295 262 I C -2.823 173.457 176.117 0.271 0.000 1.463 262 I CA -2.632 58.830 61.300 0.270 0.000 0.892 262 I CB 1.740 39.904 38.000 0.273 0.000 1.874 262 I HN -0.258 nan 8.210 nan 0.000 0.620 263 P HA 0.074 nan 4.420 nan 0.000 0.269 263 P C 0.563 177.990 177.300 0.213 0.000 1.215 263 P CA -0.087 63.123 63.100 0.182 0.000 0.780 263 P CB 1.353 33.102 31.700 0.082 0.000 0.898 264 R N 2.022 122.629 120.500 0.177 0.000 2.075 264 R HA -0.036 4.345 4.340 0.069 0.000 0.232 264 R C 0.418 176.839 176.300 0.203 0.000 1.126 264 R CA 1.483 57.738 56.100 0.258 0.000 0.963 264 R CB -0.015 30.408 30.300 0.205 0.000 0.858 264 R HN 0.705 nan 8.270 nan 0.000 0.435 265 S N -3.043 112.568 115.700 -0.148 0.000 2.615 265 S HA 0.201 4.712 4.470 0.069 0.000 0.269 265 S C -0.114 174.142 174.600 -0.573 0.000 1.161 265 S CA -0.989 56.898 58.200 -0.522 0.000 0.817 265 S CB 0.347 63.392 63.200 -0.259 0.000 1.131 265 S HN 0.105 nan 8.310 nan 0.000 0.467 266 Y N 0.565 120.485 120.300 -0.633 0.000 2.403 266 Y HA 0.108 4.699 4.550 0.068 0.000 0.291 266 Y C 2.599 178.169 175.900 -0.550 0.000 1.143 266 Y CA 0.925 58.555 58.100 -0.784 0.000 1.257 266 Y CB -0.562 37.058 38.460 -1.400 0.000 0.984 266 Y HN 0.655 nan 8.280 nan 0.000 0.550 267 R N -0.160 120.200 120.500 -0.232 0.000 2.193 267 R HA -0.086 4.296 4.340 0.069 0.000 0.229 267 R C 0.863 177.112 176.300 -0.085 0.000 1.110 267 R CA 1.626 57.638 56.100 -0.146 0.000 0.988 267 R CB -0.197 30.015 30.300 -0.145 0.000 0.871 267 R HN 0.348 nan 8.270 nan 0.000 0.458 268 T N -2.340 112.186 114.554 -0.048 0.000 3.374 268 T HA 0.318 4.710 4.350 0.069 0.000 0.267 268 T C 0.078 174.815 174.700 0.062 0.000 0.996 268 T CA -0.711 61.390 62.100 0.001 0.000 0.977 268 T CB -0.066 68.787 68.868 -0.026 0.000 1.149 268 T HN 0.084 nan 8.240 nan 0.000 0.517 269 M N -1.009 118.670 119.600 0.133 0.000 2.644 269 M HA 0.732 5.253 4.480 0.069 0.000 0.304 269 M C -1.101 175.378 176.300 0.297 0.000 1.215 269 M CA -0.841 54.580 55.300 0.202 0.000 0.871 269 M CB 2.184 34.902 32.600 0.196 0.000 1.740 269 M HN -0.124 nan 8.290 nan 0.000 0.464 270 E N 0.462 120.829 120.200 0.279 0.000 2.345 270 E HA 0.642 5.034 4.350 0.069 0.000 0.259 270 E C -0.256 176.412 176.600 0.114 0.000 1.117 270 E CA -0.480 56.017 56.400 0.161 0.000 0.913 270 E CB 1.539 31.279 29.700 0.067 0.000 1.057 270 E HN 0.857 nan 8.360 nan 0.000 0.432 271 G N 0.578 109.258 108.800 -0.201 0.000 2.563 271 G HA2 0.643 4.645 3.960 0.069 0.000 0.302 271 G HA3 0.643 4.645 3.960 0.069 0.000 0.302 271 G C -1.523 172.896 174.900 -0.802 0.000 1.301 271 G CA -0.497 44.453 45.100 -0.251 0.000 0.965 271 G HN 0.288 nan 8.290 nan 0.000 0.480 272 F N -0.635 119.248 119.950 -0.111 0.000 2.608 272 F HA 0.481 5.050 4.527 0.069 0.000 0.309 272 F C 1.070 176.775 175.800 -0.159 0.000 1.103 272 F CA -0.453 57.405 58.000 -0.237 0.000 0.954 272 F CB 2.431 41.246 39.000 -0.308 0.000 1.267 272 F HN 0.630 nan 8.300 nan 0.000 0.444 273 G N 1.155 110.012 108.800 0.095 0.000 2.598 273 G HA2 0.054 4.055 3.960 0.069 0.000 0.215 273 G HA3 0.054 4.055 3.960 0.069 0.000 0.215 273 G C 1.282 176.234 174.900 0.087 0.000 1.131 273 G CA 0.934 46.146 45.100 0.187 0.000 0.785 273 G HN 0.802 nan 8.290 nan 0.000 0.539 274 I N -1.054 119.491 120.570 -0.042 0.000 4.588 274 I HA -0.344 3.868 4.170 0.069 0.000 0.053 274 I C 0.633 176.611 176.117 -0.231 0.000 0.617 274 I CA 1.683 62.833 61.300 -0.249 0.000 0.853 274 I CB -1.283 36.468 38.000 -0.415 0.000 0.779 274 I HN 0.274 nan 8.210 nan 0.000 0.163 275 H N 2.316 121.384 119.070 -0.002 0.000 2.690 275 H HA 0.230 4.827 4.556 0.069 0.000 0.365 275 H C 0.140 175.371 175.328 -0.162 0.000 1.142 275 H CA 0.477 56.422 56.048 -0.172 0.000 1.417 275 H CB 0.355 29.847 29.762 -0.449 0.000 1.446 275 H HN 0.201 nan 8.280 nan 0.000 0.599 276 T N 3.941 118.438 114.554 -0.094 0.000 2.814 276 T HA 0.208 4.599 4.350 0.069 0.000 0.297 276 T C 0.305 174.892 174.700 -0.189 0.000 0.956 276 T CA 0.039 62.069 62.100 -0.117 0.000 1.123 276 T CB -0.175 68.582 68.868 -0.186 0.000 0.902 276 T HN 0.226 nan 8.240 nan 0.000 0.528 277 F N 1.398 121.294 119.950 -0.091 0.000 2.544 277 F HA 0.651 5.220 4.527 0.069 0.000 0.378 277 F C 1.083 176.834 175.800 -0.082 0.000 1.112 277 F CA -1.255 56.719 58.000 -0.044 0.000 1.115 277 F CB 1.300 40.247 39.000 -0.088 0.000 1.436 277 F HN 0.220 nan 8.300 nan 0.000 0.496 278 R N 0.494 121.053 120.500 0.099 0.000 2.740 278 R HA 0.652 5.033 4.340 0.069 0.000 0.282 278 R C -1.592 174.602 176.300 -0.177 0.000 0.969 278 R CA -0.904 55.127 56.100 -0.114 0.000 0.918 278 R CB 1.917 32.084 30.300 -0.222 0.000 1.175 278 R HN 0.424 nan 8.270 nan 0.000 0.464 279 L N 3.139 124.210 121.223 -0.254 0.000 2.322 279 L HA 0.543 4.924 4.340 0.069 0.000 0.279 279 L C -0.437 176.278 176.870 -0.258 0.000 1.036 279 L CA -0.912 53.785 54.840 -0.239 0.000 0.807 279 L CB 1.270 43.192 42.059 -0.228 0.000 1.226 279 L HN 0.373 nan 8.230 nan 0.000 0.433 280 I N 2.610 123.051 120.570 -0.216 0.000 2.447 280 I HA 0.259 4.470 4.170 0.069 0.000 0.287 280 I C -0.386 175.640 176.117 -0.151 0.000 1.023 280 I CA -0.690 60.481 61.300 -0.215 0.000 1.083 280 I CB 1.478 39.353 38.000 -0.208 0.000 1.245 280 I HN 0.630 nan 8.210 nan 0.000 0.434 281 N N 4.838 123.460 118.700 -0.130 0.000 2.448 281 N HA 0.395 5.177 4.740 0.069 0.000 0.274 281 N C 0.854 176.321 175.510 -0.072 0.000 1.239 281 N CA -0.348 52.648 53.050 -0.090 0.000 0.982 281 N CB 0.707 39.149 38.487 -0.075 0.000 1.199 281 N HN 0.524 nan 8.380 nan 0.000 0.576 282 A N -0.485 122.303 122.820 -0.054 0.000 2.019 282 A HA -0.126 4.236 4.320 0.069 0.000 0.219 282 A C 1.505 179.067 177.584 -0.037 0.000 1.164 282 A CA 1.354 53.366 52.037 -0.042 0.000 0.644 282 A CB -0.736 18.246 19.000 -0.030 0.000 0.805 282 A HN 0.724 nan 8.150 nan 0.000 0.449 283 E N -1.419 118.759 120.200 -0.036 0.000 2.482 283 E HA 0.242 4.633 4.350 0.069 0.000 0.196 283 E C 1.331 177.917 176.600 -0.023 0.000 1.047 283 E CA 0.784 57.167 56.400 -0.027 0.000 0.869 283 E CB -0.212 29.472 29.700 -0.026 0.000 0.836 283 E HN 0.770 nan 8.360 nan 0.000 0.520 284 G N 0.887 109.669 108.800 -0.031 0.000 2.157 284 G HA2 -0.341 3.661 3.960 0.069 0.000 0.239 284 G HA3 -0.341 3.661 3.960 0.069 0.000 0.239 284 G C 0.304 175.206 174.900 0.003 0.000 0.982 284 G CA 0.218 45.316 45.100 -0.004 0.000 0.650 284 G HN 0.265 nan 8.290 nan 0.000 0.527 285 K N 0.982 121.347 120.400 -0.058 0.000 2.339 285 K HA 0.641 5.002 4.320 0.069 0.000 0.286 285 K C 0.705 177.156 176.600 -0.249 0.000 1.050 285 K CA 0.227 56.452 56.287 -0.103 0.000 0.956 285 K CB 0.478 32.924 32.500 -0.089 0.000 0.990 285 K HN 0.545 nan 8.250 nan 0.000 0.475 286 A N 3.581 126.139 122.820 -0.436 0.000 2.331 286 A HA 0.373 4.734 4.320 0.069 0.000 0.283 286 A C -0.608 176.673 177.584 -0.505 0.000 1.142 286 A CA -0.375 51.255 52.037 -0.677 0.000 0.812 286 A CB 0.937 19.127 19.000 -1.351 0.000 1.074 286 A HN 0.725 nan 8.150 nan 0.000 0.497 287 T N 2.314 116.609 114.554 -0.431 0.000 2.841 287 T HA 0.532 4.924 4.350 0.069 0.000 0.283 287 T C -0.647 173.856 174.700 -0.330 0.000 1.000 287 T CA -0.089 61.812 62.100 -0.332 0.000 0.977 287 T CB 0.483 69.240 68.868 -0.186 0.000 0.979 287 T HN 0.338 nan 8.240 nan 0.000 0.446 288 F N 2.080 121.936 119.950 -0.158 0.000 2.471 288 F HA 0.512 5.080 4.527 0.069 0.000 0.353 288 F C 0.538 176.219 175.800 -0.200 0.000 1.113 288 F CA -0.433 57.468 58.000 -0.165 0.000 1.262 288 F CB 0.731 39.654 39.000 -0.129 0.000 1.146 288 F HN 0.177 nan 8.300 nan 0.000 0.578 289 V N 5.086 124.963 119.914 -0.062 0.000 2.760 289 V HA 0.576 4.738 4.120 0.069 0.000 0.309 289 V C -0.900 174.966 176.094 -0.379 0.000 1.077 289 V CA -0.737 61.373 62.300 -0.318 0.000 0.910 289 V CB 1.939 33.358 31.823 -0.673 0.000 1.008 289 V HN 0.760 nan 8.190 nan 0.000 0.424 290 R N 4.748 125.087 120.500 -0.269 0.000 2.514 290 R HA 0.566 4.948 4.340 0.069 0.000 0.301 290 R C -1.553 174.676 176.300 -0.118 0.000 0.962 290 R CA -0.466 55.515 56.100 -0.197 0.000 0.882 290 R CB 1.976 32.282 30.300 0.009 0.000 1.143 290 R HN 0.597 nan 8.270 nan 0.000 0.452 291 F N 1.933 121.938 119.950 0.093 0.000 2.385 291 F HA 0.371 4.939 4.527 0.069 0.000 0.336 291 F C 0.881 176.630 175.800 -0.086 0.000 1.100 291 F CA -0.108 57.908 58.000 0.027 0.000 1.116 291 F CB 0.949 39.856 39.000 -0.154 0.000 1.166 291 F HN 0.203 nan 8.300 nan 0.000 0.511 292 H N 0.952 120.028 119.070 0.011 0.000 2.806 292 H HA 0.210 4.807 4.556 0.069 0.000 0.367 292 H C -1.578 173.525 175.328 -0.374 0.000 1.136 292 H CA -0.990 54.959 56.048 -0.165 0.000 1.178 292 H CB 1.851 31.613 29.762 -0.001 0.000 1.718 292 H HN 0.677 nan 8.280 nan 0.000 0.540 293 W N 2.518 123.693 121.300 -0.208 0.000 2.475 293 W HA 0.339 5.041 4.660 0.069 0.000 0.317 293 W C -0.010 176.525 176.519 0.027 0.000 1.046 293 W CA -0.762 56.515 57.345 -0.113 0.000 1.215 293 W CB 1.751 30.955 29.460 -0.427 0.000 1.335 293 W HN 0.284 nan 8.180 nan 0.000 0.471 294 K N 5.593 126.260 120.400 0.445 0.000 2.265 294 K HA 0.399 4.760 4.320 0.069 0.000 0.267 294 K C -2.461 174.372 176.600 0.389 0.000 0.994 294 K CA -1.954 54.535 56.287 0.337 0.000 0.860 294 K CB 1.447 34.098 32.500 0.251 0.000 1.099 294 K HN 0.028 nan 8.250 nan 0.000 0.448 295 P HA 0.069 nan 4.420 nan 0.000 0.282 295 P C 0.190 177.503 177.300 0.022 0.000 1.274 295 P CA -0.120 63.043 63.100 0.105 0.000 0.770 295 P CB 0.838 32.612 31.700 0.124 0.000 0.867 296 L N 2.675 123.857 121.223 -0.069 0.000 2.395 296 L HA -0.025 4.356 4.340 0.069 0.000 0.218 296 L C 2.205 179.059 176.870 -0.026 0.000 1.130 296 L CA 0.911 55.746 54.840 -0.007 0.000 0.826 296 L CB -0.482 41.583 42.059 0.010 0.000 0.941 296 L HN 0.341 nan 8.230 nan 0.000 0.451 297 A N 0.080 122.855 122.820 -0.076 0.000 2.235 297 A HA 0.379 4.741 4.320 0.069 0.000 0.208 297 A C 1.240 178.820 177.584 -0.006 0.000 1.172 297 A CA 0.722 52.731 52.037 -0.047 0.000 0.786 297 A CB -0.467 18.486 19.000 -0.077 0.000 0.804 297 A HN 0.440 nan 8.150 nan 0.000 0.479 298 G N -0.675 108.136 108.800 0.017 0.000 2.730 298 G HA2 -0.122 3.879 3.960 0.069 0.000 0.686 298 G HA3 -0.122 3.879 3.960 0.069 0.000 0.686 298 G C -0.665 174.261 174.900 0.044 0.000 1.343 298 G CA -0.445 44.684 45.100 0.048 0.000 0.826 298 G HN 0.478 nan 8.290 nan 0.000 0.582 299 K N 0.193 120.626 120.400 0.055 0.000 2.205 299 K HA 0.701 5.063 4.320 0.069 0.000 0.279 299 K C 0.337 176.924 176.600 -0.022 0.000 1.027 299 K CA 0.323 56.625 56.287 0.025 0.000 0.932 299 K CB 1.634 34.142 32.500 0.013 0.000 1.032 299 K HN 1.513 nan 8.250 nan 0.000 0.466 300 A N 1.704 124.498 122.820 -0.042 0.000 2.566 300 A HA 0.567 4.929 4.320 0.069 0.000 0.297 300 A C -1.162 176.457 177.584 0.059 0.000 1.059 300 A CA -0.716 51.259 52.037 -0.103 0.000 0.691 300 A CB 1.694 20.416 19.000 -0.464 0.000 1.282 300 A HN 0.505 nan 8.150 nan 0.000 0.401 301 S N 0.544 116.443 115.700 0.332 0.000 2.632 301 S HA 0.754 5.266 4.470 0.069 0.000 0.289 301 S C -0.060 174.873 174.600 0.555 0.000 1.115 301 S CA -0.614 57.831 58.200 0.409 0.000 0.889 301 S CB 1.213 64.644 63.200 0.385 0.000 1.116 301 S HN 0.649 nan 8.310 nan 0.000 0.486 302 L N 1.359 122.798 121.223 0.359 0.000 2.482 302 L HA 0.518 4.899 4.340 0.069 0.000 0.242 302 L C 0.146 177.150 176.870 0.223 0.000 1.210 302 L CA -0.741 54.235 54.840 0.227 0.000 0.819 302 L CB 0.139 42.243 42.059 0.075 0.000 1.203 302 L HN 0.496 nan 8.230 nan 0.000 0.495 303 V N -2.991 116.955 119.914 0.054 0.000 2.850 303 V HA 0.177 4.339 4.120 0.069 0.000 0.315 303 V C 0.677 176.728 176.094 -0.072 0.000 1.064 303 V CA -0.768 61.532 62.300 0.000 0.000 0.979 303 V CB 1.592 33.394 31.823 -0.035 0.000 1.039 303 V HN 0.941 nan 8.190 nan 0.000 0.452 304 W N 1.847 123.017 121.300 -0.217 0.000 2.335 304 W HA -0.219 4.482 4.660 0.068 0.000 0.311 304 W C 1.760 178.127 176.519 -0.253 0.000 1.213 304 W CA 2.504 59.715 57.345 -0.223 0.000 1.274 304 W CB -0.076 29.232 29.460 -0.254 0.000 1.148 304 W HN 0.998 nan 8.180 nan 0.000 0.498 305 D N 0.184 120.322 120.400 -0.437 0.000 2.144 305 D HA -0.287 4.394 4.640 0.069 0.000 0.199 305 D C 2.185 178.126 176.300 -0.599 0.000 0.984 305 D CA 2.049 55.750 54.000 -0.498 0.000 0.834 305 D CB -0.434 40.309 40.800 -0.094 0.000 0.955 305 D HN 0.375 nan 8.370 nan 0.000 0.465 306 E N -0.307 119.408 120.200 -0.809 0.000 2.072 306 E HA -0.193 4.198 4.350 0.069 0.000 0.191 306 E C 1.995 178.248 176.600 -0.578 0.000 0.985 306 E CA 1.024 56.879 56.400 -0.909 0.000 0.801 306 E CB -0.192 28.884 29.700 -1.040 0.000 0.750 306 E HN 0.302 nan 8.360 nan 0.000 0.452 307 A N 1.138 123.648 122.820 -0.516 0.000 1.902 307 A HA -0.252 4.110 4.320 0.069 0.000 0.217 307 A C 2.187 179.434 177.584 -0.562 0.000 1.181 307 A CA 1.749 53.523 52.037 -0.439 0.000 0.623 307 A CB -0.686 18.170 19.000 -0.239 0.000 0.818 307 A HN 0.437 nan 8.150 nan 0.000 0.443 308 Q N -0.381 118.882 119.800 -0.896 0.000 2.050 308 Q HA -0.183 4.198 4.340 0.069 0.000 0.202 308 Q C 2.047 177.780 176.000 -0.446 0.000 0.980 308 Q CA 1.668 56.987 55.803 -0.806 0.000 0.840 308 Q CB -0.120 27.916 28.738 -1.169 0.000 0.898 308 Q HN 0.611 nan 8.270 nan 0.000 0.424 309 K N 0.059 120.217 120.400 -0.403 0.000 2.063 309 K HA -0.171 4.190 4.320 0.069 0.000 0.208 309 K C 2.058 178.514 176.600 -0.241 0.000 1.048 309 K CA 0.844 56.978 56.287 -0.254 0.000 0.928 309 K CB -0.151 32.231 32.500 -0.196 0.000 0.713 309 K HN 0.203 nan 8.250 nan 0.000 0.442 310 L N 1.430 122.465 121.223 -0.313 0.000 2.131 310 L HA -0.155 4.226 4.340 0.069 0.000 0.210 310 L C 2.585 179.316 176.870 -0.231 0.000 1.092 310 L CA 2.036 56.686 54.840 -0.317 0.000 0.759 310 L CB -1.373 40.403 42.059 -0.472 0.000 0.903 310 L HN 0.361 nan 8.230 nan 0.000 0.435 311 T N -4.292 110.128 114.554 -0.223 0.000 2.803 311 T HA -0.131 4.260 4.350 0.069 0.000 0.269 311 T C 1.884 176.517 174.700 -0.111 0.000 1.052 311 T CA 1.206 63.218 62.100 -0.147 0.000 1.136 311 T CB -0.868 67.924 68.868 -0.127 0.000 0.864 311 T HN 0.354 nan 8.240 nan 0.000 0.467 312 G N 0.977 109.705 108.800 -0.121 0.000 2.411 312 G HA2 0.006 4.007 3.960 0.069 0.000 0.213 312 G HA3 0.006 4.007 3.960 0.069 0.000 0.213 312 G C 1.948 176.802 174.900 -0.077 0.000 1.166 312 G CA -0.186 44.860 45.100 -0.089 0.000 0.802 312 G HN 0.337 nan 8.290 nan 0.000 0.533 313 R N 0.128 120.572 120.500 -0.093 0.000 2.100 313 R HA 0.060 4.442 4.340 0.069 0.000 0.220 313 R C -0.102 176.169 176.300 -0.048 0.000 1.091 313 R CA 0.772 56.830 56.100 -0.069 0.000 0.986 313 R CB -0.105 30.147 30.300 -0.080 0.000 0.888 313 R HN 0.303 nan 8.270 nan 0.000 0.444 314 D N 0.157 120.523 120.400 -0.057 0.000 2.429 314 D HA 0.155 4.836 4.640 0.069 0.000 0.255 314 D C -2.008 174.292 176.300 0.001 0.000 1.257 314 D CA -1.967 52.033 54.000 0.000 0.000 0.890 314 D CB 1.233 42.084 40.800 0.084 0.000 1.267 314 D HN -0.120 nan 8.370 nan 0.000 0.521 315 P HA -0.019 nan 4.420 nan 0.000 0.228 315 P C -0.016 177.285 177.300 0.002 0.000 1.151 315 P CA 0.661 63.746 63.100 -0.025 0.000 0.770 315 P CB 0.486 32.168 31.700 -0.030 0.000 0.786 316 D N -1.386 119.027 120.400 0.020 0.000 2.427 316 D HA 0.068 4.749 4.640 0.069 0.000 0.224 316 D C 1.215 177.548 176.300 0.055 0.000 1.157 316 D CA -0.440 53.577 54.000 0.028 0.000 0.828 316 D CB -0.524 40.271 40.800 -0.009 0.000 0.974 316 D HN 0.132 nan 8.370 nan 0.000 0.498 317 F N 1.408 121.297 119.950 -0.101 0.000 2.095 317 F HA -0.238 4.330 4.527 0.068 0.000 0.298 317 F C 2.096 177.872 175.800 -0.040 0.000 1.104 317 F CA 1.864 59.801 58.000 -0.104 0.000 1.232 317 F CB 0.024 38.911 39.000 -0.188 0.000 0.987 317 F HN 0.103 nan 8.300 nan 0.000 0.475 318 H N -1.175 117.799 119.070 -0.159 0.000 2.389 318 H HA -0.103 4.494 4.556 0.069 0.000 0.299 318 H C 2.372 177.597 175.328 -0.172 0.000 1.081 318 H CA 0.902 56.718 56.048 -0.387 0.000 1.345 318 H CB -0.108 29.248 29.762 -0.677 0.000 1.393 318 H HN 0.200 nan 8.280 nan 0.000 0.520 319 R N 1.253 121.845 120.500 0.152 0.000 2.073 319 R HA -0.124 4.257 4.340 0.069 0.000 0.234 319 R C 2.466 178.868 176.300 0.170 0.000 1.134 319 R CA 1.303 57.545 56.100 0.238 0.000 0.952 319 R CB -0.025 30.392 30.300 0.195 0.000 0.850 319 R HN 0.182 nan 8.270 nan 0.000 0.433 320 R N 0.323 120.848 120.500 0.041 0.000 2.073 320 R HA -0.142 4.240 4.340 0.069 0.000 0.234 320 R C 2.078 178.379 176.300 0.002 0.000 1.134 320 R CA 1.641 57.748 56.100 0.011 0.000 0.952 320 R CB -0.174 30.094 30.300 -0.054 0.000 0.850 320 R HN 0.269 nan 8.270 nan 0.000 0.433 321 E N 0.671 120.768 120.200 -0.172 0.000 2.038 321 E HA -0.223 4.168 4.350 0.069 0.000 0.195 321 E C 2.037 178.613 176.600 -0.039 0.000 1.000 321 E CA 1.350 57.623 56.400 -0.211 0.000 0.803 321 E CB -0.227 29.205 29.700 -0.448 0.000 0.750 321 E HN 0.234 nan 8.360 nan 0.000 0.448 322 L N 0.875 122.112 121.223 0.024 0.000 1.989 322 L HA -0.191 4.191 4.340 0.069 0.000 0.211 322 L C 2.246 179.225 176.870 0.181 0.000 1.071 322 L CA 1.956 56.862 54.840 0.110 0.000 0.749 322 L CB -0.852 41.332 42.059 0.208 0.000 0.890 322 L HN 0.323 nan 8.230 nan 0.000 0.431 323 W N 0.814 122.151 121.300 0.062 0.000 2.335 323 W HA -0.213 4.489 4.660 0.070 0.000 0.311 323 W C 2.276 178.828 176.519 0.056 0.000 1.213 323 W CA 2.212 59.605 57.345 0.080 0.000 1.274 323 W CB -0.153 29.357 29.460 0.084 0.000 1.148 323 W HN 0.364 nan 8.180 nan 0.000 0.498 324 E N -0.069 120.315 120.200 0.306 0.000 2.152 324 E HA -0.130 4.262 4.350 0.069 0.000 0.192 324 E C 2.364 179.004 176.600 0.067 0.000 0.983 324 E CA 1.032 57.535 56.400 0.172 0.000 0.818 324 E CB -0.337 29.418 29.700 0.092 0.000 0.758 324 E HN 0.180 nan 8.360 nan 0.000 0.467 325 A N 1.382 124.238 122.820 0.059 0.000 1.883 325 A HA -0.199 4.162 4.320 0.069 0.000 0.217 325 A C 2.172 179.789 177.584 0.056 0.000 1.186 325 A CA 1.197 53.262 52.037 0.047 0.000 0.624 325 A CB -0.632 18.393 19.000 0.042 0.000 0.822 325 A HN 0.142 nan 8.150 nan 0.000 0.444 326 I N -0.497 120.125 120.570 0.086 0.000 2.226 326 I HA -0.254 3.957 4.170 0.069 0.000 0.245 326 I C 2.500 178.690 176.117 0.122 0.000 1.100 326 I CA 1.541 62.943 61.300 0.170 0.000 1.374 326 I CB -0.402 37.627 38.000 0.048 0.000 1.057 326 I HN 0.431 nan 8.210 nan 0.000 0.413 327 E N 0.694 120.909 120.200 0.026 0.000 2.150 327 E HA -0.181 4.211 4.350 0.069 0.000 0.193 327 E C 2.193 178.809 176.600 0.027 0.000 0.985 327 E CA 1.189 57.612 56.400 0.039 0.000 0.814 327 E CB -0.078 29.675 29.700 0.088 0.000 0.752 327 E HN 0.514 nan 8.360 nan 0.000 0.466 328 A N 0.018 122.836 122.820 -0.005 0.000 2.169 328 A HA 0.176 4.537 4.320 0.069 0.000 0.212 328 A C 1.809 179.337 177.584 -0.094 0.000 1.153 328 A CA 1.036 53.052 52.037 -0.036 0.000 0.756 328 A CB -0.113 18.857 19.000 -0.050 0.000 0.813 328 A HN 0.345 nan 8.150 nan 0.000 0.471 329 G N -0.432 108.242 108.800 -0.210 0.000 2.157 329 G HA2 -0.198 3.803 3.960 0.069 0.000 0.248 329 G HA3 -0.198 3.803 3.960 0.069 0.000 0.248 329 G C -0.207 174.259 174.900 -0.724 0.000 0.979 329 G CA 0.231 44.934 45.100 -0.662 0.000 0.650 329 G HN 0.468 nan 8.290 nan 0.000 0.529 330 D N 1.065 121.288 120.400 -0.296 0.000 2.801 330 D HA 0.233 4.914 4.640 0.069 0.000 0.232 330 D C 0.808 177.069 176.300 -0.065 0.000 1.128 330 D CA -0.090 53.813 54.000 -0.161 0.000 1.003 330 D CB -0.728 40.065 40.800 -0.012 0.000 1.110 330 D HN 0.455 nan 8.370 nan 0.000 0.477 331 F N 1.331 121.284 119.950 0.004 0.000 2.612 331 F HA 0.046 4.615 4.527 0.069 0.000 0.389 331 F C -1.349 174.424 175.800 -0.045 0.000 1.055 331 F CA -1.835 56.161 58.000 -0.007 0.000 1.232 331 F CB -0.135 38.873 39.000 0.014 0.000 1.044 331 F HN -0.103 nan 8.300 nan 0.000 0.560 332 P HA -0.005 nan 4.420 nan 0.000 0.262 332 P C -1.017 176.223 177.300 -0.101 0.000 1.182 332 P CA 0.472 63.548 63.100 -0.040 0.000 0.761 332 P CB 0.466 32.211 31.700 0.075 0.000 0.795 333 E N 2.349 122.355 120.200 -0.323 0.000 2.222 333 E HA 0.455 4.847 4.350 0.069 0.000 0.267 333 E C -1.043 175.268 176.600 -0.481 0.000 0.884 333 E CA -0.577 55.689 56.400 -0.223 0.000 0.764 333 E CB 1.507 31.170 29.700 -0.061 0.000 1.169 333 E HN 0.387 nan 8.360 nan 0.000 0.413 334 Y N 0.225 120.599 120.300 0.124 0.000 2.492 334 Y HA 0.251 4.843 4.550 0.069 0.000 0.346 334 Y C -0.260 175.869 175.900 0.383 0.000 0.997 334 Y CA -0.999 57.251 58.100 0.251 0.000 1.025 334 Y CB 2.003 40.598 38.460 0.225 0.000 1.263 334 Y HN 0.460 nan 8.280 nan 0.000 0.454 335 E N 2.676 123.206 120.200 0.550 0.000 2.146 335 E HA 0.367 4.759 4.350 0.069 0.000 0.282 335 E C -1.363 175.522 176.600 0.475 0.000 0.989 335 E CA -0.932 55.745 56.400 0.462 0.000 0.799 335 E CB 0.921 30.828 29.700 0.344 0.000 1.088 335 E HN 0.587 nan 8.360 nan 0.000 0.397 336 L N 4.347 125.788 121.223 0.364 0.000 2.453 336 L HA 0.456 4.837 4.340 0.069 0.000 0.272 336 L C -0.019 176.786 176.870 -0.108 0.000 1.182 336 L CA 0.782 55.535 54.840 -0.145 0.000 0.858 336 L CB 0.915 42.830 42.059 -0.239 0.000 1.120 336 L HN 0.574 nan 8.230 nan 0.000 0.474 337 G N 4.454 113.196 108.800 -0.097 0.000 2.667 337 G HA2 0.538 4.540 3.960 0.069 0.000 0.298 337 G HA3 0.538 4.540 3.960 0.069 0.000 0.298 337 G C -1.617 173.424 174.900 0.235 0.000 1.377 337 G CA -0.548 44.539 45.100 -0.020 0.000 0.964 337 G HN 0.466 nan 8.290 nan 0.000 0.493 338 F N 0.470 120.442 119.950 0.038 0.000 2.482 338 F HA 0.374 4.942 4.527 0.069 0.000 0.331 338 F C 0.483 176.276 175.800 -0.012 0.000 1.115 338 F CA -0.993 57.030 58.000 0.038 0.000 0.955 338 F CB 2.408 41.419 39.000 0.019 0.000 1.136 338 F HN 0.149 nan 8.300 nan 0.000 0.452 339 Q N 4.320 124.226 119.800 0.177 0.000 2.279 339 Q HA 0.467 4.849 4.340 0.069 0.000 0.256 339 Q C -0.996 175.045 176.000 0.068 0.000 0.937 339 Q CA -0.317 55.538 55.803 0.088 0.000 0.933 339 Q CB 1.818 30.606 28.738 0.084 0.000 1.189 339 Q HN 0.540 nan 8.270 nan 0.000 0.417 340 L N 4.140 125.410 121.223 0.079 0.000 2.341 340 L HA 0.581 4.962 4.340 0.069 0.000 0.278 340 L C -0.838 176.085 176.870 0.089 0.000 1.005 340 L CA -0.815 54.062 54.840 0.062 0.000 0.818 340 L CB 1.265 43.370 42.059 0.076 0.000 1.259 340 L HN 0.513 nan 8.230 nan 0.000 0.418 341 I N 4.114 124.753 120.570 0.115 0.000 2.478 341 I HA 0.418 4.629 4.170 0.069 0.000 0.287 341 I C -2.349 173.879 176.117 0.186 0.000 1.042 341 I CA -1.815 59.596 61.300 0.186 0.000 1.067 341 I CB 1.886 40.023 38.000 0.228 0.000 1.233 341 I HN 0.303 nan 8.210 nan 0.000 0.431 342 P HA 0.066 nan 4.420 nan 0.000 0.269 342 P C 0.693 178.047 177.300 0.091 0.000 1.215 342 P CA -0.204 62.927 63.100 0.052 0.000 0.780 342 P CB 0.851 32.574 31.700 0.037 0.000 0.898 343 E N 2.244 122.400 120.200 -0.074 0.000 2.085 343 E HA -0.267 4.124 4.350 0.069 0.000 0.194 343 E C 1.456 178.121 176.600 0.109 0.000 0.994 343 E CA 1.183 57.527 56.400 -0.094 0.000 0.801 343 E CB -0.044 29.528 29.700 -0.212 0.000 0.743 343 E HN 0.511 nan 8.360 nan 0.000 0.453 344 E N 0.245 120.485 120.200 0.067 0.000 2.409 344 E HA -0.193 4.199 4.350 0.069 0.000 0.198 344 E C 0.451 177.104 176.600 0.088 0.000 1.024 344 E CA 0.958 57.408 56.400 0.083 0.000 0.861 344 E CB -0.027 29.703 29.700 0.051 0.000 0.788 344 E HN 0.246 nan 8.360 nan 0.000 0.521 345 D N 1.173 121.632 120.400 0.098 0.000 2.340 345 D HA -0.005 4.676 4.640 0.069 0.000 0.217 345 D C 1.401 177.722 176.300 0.036 0.000 1.081 345 D CA 0.103 54.137 54.000 0.056 0.000 0.842 345 D CB 0.147 40.995 40.800 0.080 0.000 0.934 345 D HN 0.437 nan 8.370 nan 0.000 0.511 346 E N -0.165 120.027 120.200 -0.014 0.000 2.097 346 E HA -0.198 4.193 4.350 0.069 0.000 0.196 346 E C 0.420 176.669 176.600 -0.585 0.000 1.000 346 E CA 1.104 57.278 56.400 -0.375 0.000 0.804 346 E CB -0.007 29.337 29.700 -0.594 0.000 0.740 346 E HN 0.251 nan 8.360 nan 0.000 0.454 347 F N -0.188 119.766 119.950 0.007 0.000 2.668 347 F HA 0.293 4.862 4.527 0.069 0.000 0.297 347 F C 1.149 176.878 175.800 -0.118 0.000 1.124 347 F CA -0.188 57.788 58.000 -0.040 0.000 1.353 347 F CB 0.529 39.514 39.000 -0.025 0.000 0.992 347 F HN -0.181 nan 8.300 nan 0.000 0.524 348 K N -0.046 120.267 120.400 -0.145 0.000 2.444 348 K HA 0.150 4.511 4.320 0.069 0.000 0.193 348 K C -0.287 175.933 176.600 -0.632 0.000 1.024 348 K CA 0.241 56.289 56.287 -0.398 0.000 1.077 348 K CB 0.191 32.390 32.500 -0.502 0.000 0.833 348 K HN 0.138 nan 8.250 nan 0.000 0.517 349 F N -0.305 119.502 119.950 -0.238 0.000 2.557 349 F HA 0.170 4.739 4.527 0.069 0.000 0.336 349 F C 1.192 176.825 175.800 -0.279 0.000 1.058 349 F CA -1.035 56.737 58.000 -0.380 0.000 0.988 349 F CB 0.909 39.320 39.000 -0.981 0.000 1.275 349 F HN -0.194 nan 8.300 nan 0.000 0.488 350 D N 0.409 120.860 120.400 0.085 0.000 2.348 350 D HA -0.012 4.670 4.640 0.069 0.000 0.216 350 D C -0.219 176.206 176.300 0.208 0.000 0.970 350 D CA 1.061 55.164 54.000 0.173 0.000 0.889 350 D CB -0.193 40.785 40.800 0.296 0.000 0.912 350 D HN 0.264 nan 8.370 nan 0.000 0.524 351 F N -1.253 118.775 119.950 0.130 0.000 2.631 351 F HA 0.472 5.040 4.527 0.069 0.000 0.328 351 F C -0.066 175.716 175.800 -0.031 0.000 1.067 351 F CA -1.597 56.398 58.000 -0.009 0.000 0.969 351 F CB 0.864 39.809 39.000 -0.093 0.000 1.332 351 F HN -0.410 nan 8.300 nan 0.000 0.490 352 D N 1.676 122.063 120.400 -0.021 0.000 2.277 352 D HA 0.198 4.879 4.640 0.069 0.000 0.249 352 D C 1.046 177.249 176.300 -0.162 0.000 1.134 352 D CA -0.051 53.880 54.000 -0.116 0.000 0.863 352 D CB 1.429 42.171 40.800 -0.096 0.000 1.143 352 D HN 0.729 nan 8.370 nan 0.000 0.458 353 L N 3.519 124.583 121.223 -0.266 0.000 2.187 353 L HA -0.164 4.217 4.340 0.069 0.000 0.213 353 L C 2.033 178.755 176.870 -0.248 0.000 1.100 353 L CA 0.764 55.428 54.840 -0.294 0.000 0.765 353 L CB -0.170 41.568 42.059 -0.536 0.000 0.904 353 L HN 0.474 nan 8.230 nan 0.000 0.437 354 L N -0.810 120.295 121.223 -0.196 0.000 2.599 354 L HA 0.016 4.398 4.340 0.069 0.000 0.230 354 L C 0.496 177.304 176.870 -0.103 0.000 1.141 354 L CA -0.025 54.779 54.840 -0.059 0.000 0.877 354 L CB -0.399 41.745 42.059 0.140 0.000 1.009 354 L HN 0.130 nan 8.230 nan 0.000 0.447 355 D N 1.700 121.800 120.400 -0.500 0.000 2.359 355 D HA 0.128 4.809 4.640 0.069 0.000 0.230 355 D C -1.646 174.435 176.300 -0.366 0.000 1.118 355 D CA -2.404 51.050 54.000 -0.909 0.000 0.844 355 D CB 1.555 41.464 40.800 -1.485 0.000 1.059 355 D HN -0.085 nan 8.370 nan 0.000 0.493 356 P HA -0.023 nan 4.420 nan 0.000 0.245 356 P C 0.806 178.018 177.300 -0.147 0.000 1.212 356 P CA 0.482 63.521 63.100 -0.102 0.000 0.774 356 P CB -0.064 31.663 31.700 0.044 0.000 0.999 357 T N -4.169 110.292 114.554 -0.155 0.000 3.129 357 T HA 0.140 4.531 4.350 0.069 0.000 0.251 357 T C 0.733 175.351 174.700 -0.137 0.000 1.117 357 T CA -0.033 61.984 62.100 -0.140 0.000 1.034 357 T CB -0.225 68.611 68.868 -0.052 0.000 0.968 357 T HN -0.117 nan 8.240 nan 0.000 0.526 358 K N 2.071 122.297 120.400 -0.289 0.000 2.244 358 K HA 0.560 4.921 4.320 0.069 0.000 0.260 358 K C -0.392 176.026 176.600 -0.303 0.000 0.951 358 K CA -0.836 55.152 56.287 -0.500 0.000 0.826 358 K CB 2.221 34.321 32.500 -0.667 0.000 1.108 358 K HN 0.274 nan 8.250 nan 0.000 0.433 359 L N -0.191 120.981 121.223 -0.084 0.000 2.387 359 L HA 0.654 5.036 4.340 0.069 0.000 0.266 359 L C -0.034 176.655 176.870 -0.302 0.000 1.059 359 L CA -0.502 54.242 54.840 -0.160 0.000 0.801 359 L CB 0.306 42.336 42.059 -0.049 0.000 1.223 359 L HN 0.447 nan 8.230 nan 0.000 0.456 360 I N 1.351 121.831 120.570 -0.151 0.000 2.306 360 I HA 0.368 4.580 4.170 0.069 0.000 0.288 360 I C -2.138 173.985 176.117 0.010 0.000 1.036 360 I CA -1.706 59.552 61.300 -0.069 0.000 1.221 360 I CB 1.142 39.137 38.000 -0.008 0.000 1.385 360 I HN 0.441 nan 8.210 nan 0.000 0.472 361 P HA 0.029 nan 4.420 nan 0.000 0.264 361 P C 0.345 177.705 177.300 0.100 0.000 1.193 361 P CA 0.111 63.248 63.100 0.062 0.000 0.763 361 P CB 0.601 32.332 31.700 0.052 0.000 0.810 362 E N 1.904 122.170 120.200 0.110 0.000 2.204 362 E HA -0.205 4.186 4.350 0.069 0.000 0.195 362 E C 1.399 178.051 176.600 0.086 0.000 0.990 362 E CA 0.821 57.276 56.400 0.092 0.000 0.821 362 E CB -0.039 29.717 29.700 0.093 0.000 0.750 362 E HN 0.515 nan 8.360 nan 0.000 0.477 363 E N 0.387 120.639 120.200 0.087 0.000 2.204 363 E HA -0.159 4.232 4.350 0.069 0.000 0.195 363 E C 2.043 178.706 176.600 0.106 0.000 0.990 363 E CA 0.789 57.238 56.400 0.082 0.000 0.821 363 E CB 0.038 29.780 29.700 0.070 0.000 0.750 363 E HN 0.384 nan 8.360 nan 0.000 0.477 364 L N -0.410 120.898 121.223 0.143 0.000 2.168 364 L HA 0.038 4.420 4.340 0.069 0.000 0.203 364 L C 0.659 177.653 176.870 0.205 0.000 1.078 364 L CA 0.431 55.395 54.840 0.207 0.000 0.780 364 L CB 0.383 42.640 42.059 0.330 0.000 0.939 364 L HN -0.201 nan 8.230 nan 0.000 0.451 365 V N 1.314 121.323 119.914 0.159 0.000 2.445 365 V HA 0.301 4.463 4.120 0.069 0.000 0.283 365 V C -2.348 173.792 176.094 0.076 0.000 1.014 365 V CA -1.501 60.875 62.300 0.128 0.000 0.852 365 V CB 1.383 33.276 31.823 0.116 0.000 1.021 365 V HN -0.035 nan 8.190 nan 0.000 0.435 366 P HA 0.104 nan 4.420 nan 0.000 0.269 366 P C -0.224 177.076 177.300 0.000 0.000 1.215 366 P CA 0.122 63.242 63.100 0.034 0.000 0.780 366 P CB 1.244 32.969 31.700 0.041 0.000 0.898 367 V N 3.485 123.367 119.914 -0.053 0.000 2.455 367 V HA 0.076 4.238 4.120 0.069 0.000 0.273 367 V C 0.893 176.979 176.094 -0.013 0.000 1.045 367 V CA 0.122 62.356 62.300 -0.110 0.000 0.976 367 V CB 0.263 31.939 31.823 -0.244 0.000 0.993 367 V HN 0.568 nan 8.190 nan 0.000 0.475 368 Q N 6.495 126.310 119.800 0.025 0.000 2.257 368 Q HA 0.390 4.772 4.340 0.069 0.000 0.255 368 Q C 0.260 176.263 176.000 0.005 0.000 0.920 368 Q CA -0.861 54.962 55.803 0.033 0.000 0.927 368 Q CB 0.945 29.716 28.738 0.056 0.000 1.229 368 Q HN 0.834 nan 8.270 nan 0.000 0.433 369 R N 1.987 122.514 120.500 0.045 0.000 2.537 369 R HA 0.137 4.518 4.340 0.069 0.000 0.280 369 R C -0.528 175.809 176.300 0.061 0.000 1.058 369 R CA -0.361 55.806 56.100 0.112 0.000 1.057 369 R CB 0.732 31.174 30.300 0.235 0.000 0.973 369 R HN 0.496 nan 8.270 nan 0.000 0.438 370 V N 1.609 121.470 119.914 -0.087 0.000 3.137 370 V HA 0.349 4.510 4.120 0.069 0.000 0.236 370 V C 0.783 176.627 176.094 -0.415 0.000 1.260 370 V CA 0.992 63.111 62.300 -0.302 0.000 1.244 370 V CB 0.860 32.219 31.823 -0.774 0.000 1.016 370 V HN 1.062 nan 8.190 nan 0.000 0.477 371 G N -0.331 108.120 108.800 -0.581 0.000 2.495 371 G HA2 0.493 4.495 3.960 0.069 0.000 0.294 371 G HA3 0.493 4.495 3.960 0.069 0.000 0.294 371 G C -1.875 172.640 174.900 -0.641 0.000 1.397 371 G CA -0.549 43.919 45.100 -1.054 0.000 0.790 371 G HN 0.042 nan 8.290 nan 0.000 0.486 372 K N -0.299 119.736 120.400 -0.609 0.000 2.270 372 K HA 0.739 5.100 4.320 0.069 0.000 0.255 372 K C -0.782 175.833 176.600 0.025 0.000 0.936 372 K CA -0.762 55.477 56.287 -0.080 0.000 0.809 372 K CB 1.922 34.435 32.500 0.021 0.000 1.131 372 K HN 0.553 nan 8.250 nan 0.000 0.427 373 M N 4.592 124.344 119.600 0.254 0.000 2.321 373 M HA 0.405 4.927 4.480 0.069 0.000 0.315 373 M C -1.770 174.511 176.300 -0.032 0.000 1.052 373 M CA -0.792 54.603 55.300 0.159 0.000 0.936 373 M CB 1.716 34.468 32.600 0.254 0.000 1.639 373 M HN 0.352 nan 8.290 nan 0.000 0.433 374 V N 5.461 125.192 119.914 -0.305 0.000 2.588 374 V HA 0.474 4.635 4.120 0.069 0.000 0.304 374 V C -0.994 174.985 176.094 -0.193 0.000 1.042 374 V CA -0.870 61.279 62.300 -0.251 0.000 0.877 374 V CB 1.842 33.420 31.823 -0.409 0.000 0.996 374 V HN 0.658 nan 8.190 nan 0.000 0.425 375 L N 5.739 126.924 121.223 -0.064 0.000 2.255 375 L HA 0.497 4.879 4.340 0.069 0.000 0.289 375 L C 0.676 177.444 176.870 -0.171 0.000 1.046 375 L CA 0.152 54.954 54.840 -0.063 0.000 0.816 375 L CB 0.866 42.942 42.059 0.029 0.000 1.197 375 L HN 0.895 nan 8.230 nan 0.000 0.427 376 N N 1.969 120.481 118.700 -0.312 0.000 2.143 376 N HA 0.140 4.921 4.740 0.069 0.000 0.229 376 N C 0.065 175.374 175.510 -0.335 0.000 1.294 376 N CA -0.246 52.344 53.050 -0.767 0.000 0.883 376 N CB 0.828 38.520 38.487 -1.325 0.000 1.148 376 N HN 0.358 nan 8.380 nan 0.000 0.511 377 R N 0.379 120.798 120.500 -0.135 0.000 2.535 377 R HA 0.321 4.702 4.340 0.069 0.000 0.274 377 R C -1.216 175.040 176.300 -0.074 0.000 1.090 377 R CA -0.569 55.475 56.100 -0.093 0.000 0.930 377 R CB 1.458 31.709 30.300 -0.082 0.000 1.223 377 R HN 0.066 nan 8.270 nan 0.000 0.441 378 N N 3.326 121.862 118.700 -0.274 0.000 2.467 378 N HA 0.252 5.034 4.740 0.069 0.000 0.262 378 N C -2.193 173.257 175.510 -0.101 0.000 1.234 378 N CA -1.145 51.605 53.050 -0.501 0.000 0.952 378 N CB 0.557 38.103 38.487 -1.569 0.000 1.158 378 N HN 0.299 nan 8.380 nan 0.000 0.463 379 P HA 0.096 nan 4.420 nan 0.000 0.274 379 P C -0.002 177.480 177.300 0.303 0.000 1.260 379 P CA -0.087 63.217 63.100 0.339 0.000 0.793 379 P CB 1.097 33.045 31.700 0.414 0.000 1.048 380 D N -1.185 119.365 120.400 0.251 0.000 2.201 380 D HA -0.015 4.666 4.640 0.069 0.000 0.209 380 D C 0.513 176.986 176.300 0.288 0.000 0.961 380 D CA 1.304 55.450 54.000 0.243 0.000 0.861 380 D CB 0.161 41.045 40.800 0.140 0.000 0.997 380 D HN 0.387 nan 8.370 nan 0.000 0.486 381 N N -0.093 118.768 118.700 0.268 0.000 2.448 381 N HA 0.011 4.792 4.740 0.069 0.000 0.279 381 N C 0.132 175.842 175.510 0.333 0.000 1.025 381 N CA -0.339 52.882 53.050 0.285 0.000 0.898 381 N CB 1.525 40.148 38.487 0.227 0.000 1.303 381 N HN -0.181 nan 8.380 nan 0.000 0.495 382 F N 4.404 124.504 119.950 0.249 0.000 2.065 382 F HA -0.219 4.348 4.527 0.066 0.000 0.298 382 F C 1.695 177.626 175.800 0.218 0.000 1.112 382 F CA 1.703 59.850 58.000 0.245 0.000 1.212 382 F CB -0.191 38.924 39.000 0.192 0.000 0.975 382 F HN 0.619 nan 8.300 nan 0.000 0.476 383 F N 0.754 120.929 119.950 0.375 0.000 2.075 383 F HA -0.146 4.430 4.527 0.083 0.000 0.297 383 F C 2.326 178.175 175.800 0.080 0.000 1.113 383 F CA 1.907 60.051 58.000 0.240 0.000 1.218 383 F CB -1.010 38.115 39.000 0.209 0.000 0.984 383 F HN -0.007 nan 8.300 nan 0.000 0.472 384 A N -0.386 122.554 122.820 0.200 0.000 1.933 384 A HA -0.154 4.208 4.320 0.069 0.000 0.218 384 A C 2.059 179.575 177.584 -0.113 0.000 1.175 384 A CA 1.984 54.059 52.037 0.064 0.000 0.628 384 A CB -0.668 18.422 19.000 0.150 0.000 0.814 384 A HN 0.609 nan 8.150 nan 0.000 0.444 385 E N -1.318 118.832 120.200 -0.085 0.000 2.162 385 E HA -0.059 4.333 4.350 0.069 0.000 0.193 385 E C 1.953 178.462 176.600 -0.152 0.000 0.953 385 E CA 0.500 56.794 56.400 -0.176 0.000 0.849 385 E CB -0.106 29.544 29.700 -0.083 0.000 0.810 385 E HN 0.571 nan 8.360 nan 0.000 0.470 386 N N 1.237 119.832 118.700 -0.176 0.000 2.245 386 N HA -0.147 4.634 4.740 0.069 0.000 0.185 386 N C 1.825 177.155 175.510 -0.299 0.000 1.036 386 N CA 1.289 54.190 53.050 -0.248 0.000 0.857 386 N CB 0.083 38.039 38.487 -0.884 0.000 1.015 386 N HN -0.076 nan 8.380 nan 0.000 0.436 387 E N 0.946 120.891 120.200 -0.426 0.000 2.077 387 E HA -0.092 4.299 4.350 0.069 0.000 0.193 387 E C 1.714 178.122 176.600 -0.320 0.000 0.989 387 E CA 1.450 57.684 56.400 -0.278 0.000 0.800 387 E CB -0.212 29.348 29.700 -0.233 0.000 0.746 387 E HN 0.476 nan 8.360 nan 0.000 0.452 388 Q N -0.300 119.233 119.800 -0.445 0.000 2.472 388 Q HA 0.175 4.556 4.340 0.069 0.000 0.208 388 Q C 0.027 175.893 176.000 -0.224 0.000 0.958 388 Q CA 0.301 55.895 55.803 -0.349 0.000 0.932 388 Q CB 0.270 28.785 28.738 -0.373 0.000 1.007 388 Q HN 0.220 nan 8.270 nan 0.000 0.508 389 A N 0.970 123.677 122.820 -0.188 0.000 2.425 389 A HA 0.514 4.875 4.320 0.069 0.000 0.249 389 A C -0.243 177.195 177.584 -0.244 0.000 1.084 389 A CA 0.044 51.936 52.037 -0.243 0.000 0.781 389 A CB 0.400 19.299 19.000 -0.168 0.000 1.019 389 A HN 0.244 nan 8.150 nan 0.000 0.490 390 A N 2.083 124.684 122.820 -0.364 0.000 2.340 390 A HA 0.685 5.046 4.320 0.069 0.000 0.297 390 A C -0.888 176.539 177.584 -0.262 0.000 1.195 390 A CA -0.386 51.516 52.037 -0.225 0.000 0.769 390 A CB 0.218 19.099 19.000 -0.199 0.000 1.163 390 A HN 0.625 nan 8.150 nan 0.000 0.472 391 F N 1.037 120.986 119.950 -0.002 0.000 2.450 391 F HA 0.647 5.215 4.527 0.068 0.000 0.332 391 F C 0.326 176.093 175.800 -0.054 0.000 1.093 391 F CA -0.108 57.867 58.000 -0.041 0.000 1.003 391 F CB 1.981 40.905 39.000 -0.126 0.000 1.151 391 F HN 0.743 nan 8.300 nan 0.000 0.474 392 H N 3.552 122.474 119.070 -0.247 0.000 3.042 392 H HA 0.282 4.879 4.556 0.069 0.000 0.345 392 H C -2.446 172.476 175.328 -0.676 0.000 1.052 392 H CA -1.756 53.895 56.048 -0.662 0.000 1.311 392 H CB 2.676 32.027 29.762 -0.685 0.000 1.810 392 H HN 0.197 nan 8.280 nan 0.000 0.505 393 P HA -0.027 nan 4.420 nan 0.000 0.230 393 P C 1.201 178.356 177.300 -0.242 0.000 1.158 393 P CA 1.309 64.097 63.100 -0.519 0.000 0.769 393 P CB 0.108 31.548 31.700 -0.434 0.000 0.807 394 G N -0.817 107.619 108.800 -0.607 0.000 2.509 394 G HA2 -0.171 3.830 3.960 0.069 0.000 0.218 394 G HA3 -0.171 3.830 3.960 0.069 0.000 0.218 394 G C 0.445 175.525 174.900 0.300 0.000 1.124 394 G CA 0.058 45.165 45.100 0.011 0.000 0.776 394 G HN 0.443 nan 8.290 nan 0.000 0.547 395 H N 0.675 119.853 119.070 0.179 0.000 3.224 395 H HA 0.363 4.960 4.556 0.068 0.000 0.265 395 H C 0.563 175.992 175.328 0.168 0.000 1.461 395 H CA -0.784 55.343 56.048 0.131 0.000 1.509 395 H CB -0.035 29.772 29.762 0.076 0.000 1.686 395 H HN 0.387 nan 8.280 nan 0.000 0.514 396 I N -0.166 120.512 120.570 0.179 0.000 3.217 396 I HA 0.708 4.919 4.170 0.069 0.000 0.308 396 I C -0.248 175.823 176.117 -0.077 0.000 1.091 396 I CA -1.423 59.887 61.300 0.017 0.000 1.013 396 I CB 1.914 39.796 38.000 -0.196 0.000 1.250 396 I HN 0.160 nan 8.210 nan 0.000 0.496 397 V N -2.337 117.516 119.914 -0.102 0.000 3.078 397 V HA 0.663 4.825 4.120 0.069 0.000 0.311 397 V C -2.878 173.301 176.094 0.142 0.000 1.138 397 V CA -2.484 59.825 62.300 0.015 0.000 1.007 397 V CB 1.062 32.886 31.823 0.002 0.000 1.045 397 V HN 0.639 nan 8.190 nan 0.000 0.432 398 P HA 0.368 nan 4.420 nan 0.000 0.262 398 P C 0.911 178.224 177.300 0.021 0.000 1.182 398 P CA 2.031 65.231 63.100 0.168 0.000 0.761 398 P CB 0.661 32.424 31.700 0.106 0.000 0.795 399 G N 1.608 110.375 108.800 -0.055 0.000 2.201 399 G HA2 -0.154 3.848 3.960 0.069 0.000 0.212 399 G HA3 -0.154 3.848 3.960 0.069 0.000 0.212 399 G C -0.281 174.535 174.900 -0.139 0.000 0.994 399 G CA -0.451 44.586 45.100 -0.104 0.000 0.644 399 G HN 0.444 nan 8.290 nan 0.000 0.508 400 L N -0.002 121.151 121.223 -0.117 0.000 2.333 400 L HA 0.914 5.295 4.340 0.069 0.000 0.263 400 L C -0.621 176.191 176.870 -0.096 0.000 1.014 400 L CA -1.071 53.673 54.840 -0.159 0.000 0.820 400 L CB 2.178 44.055 42.059 -0.303 0.000 1.352 400 L HN 0.089 nan 8.230 nan 0.000 0.421 401 D N -0.546 119.783 120.400 -0.118 0.000 2.665 401 D HA 0.467 5.149 4.640 0.069 0.000 0.287 401 D C -1.182 175.050 176.300 -0.113 0.000 1.266 401 D CA -0.353 53.541 54.000 -0.176 0.000 0.830 401 D CB 1.929 42.701 40.800 -0.047 0.000 1.356 401 D HN 0.118 nan 8.370 nan 0.000 0.437 402 F N -0.190 119.898 119.950 0.230 0.000 2.291 402 F HA 0.505 5.073 4.527 0.069 0.000 0.305 402 F C 1.539 177.365 175.800 0.044 0.000 1.171 402 F CA -0.226 57.840 58.000 0.110 0.000 1.090 402 F CB 0.954 39.985 39.000 0.052 0.000 1.436 402 F HN 0.215 nan 8.300 nan 0.000 0.509 403 T N -3.315 111.338 114.554 0.164 0.000 2.742 403 T HA 0.296 4.688 4.350 0.069 0.000 0.282 403 T C 0.077 174.810 174.700 0.054 0.000 1.025 403 T CA -0.970 61.206 62.100 0.127 0.000 1.020 403 T CB 1.081 69.999 68.868 0.085 0.000 1.317 403 T HN 0.349 nan 8.240 nan 0.000 0.538 404 N N 1.044 119.781 118.700 0.062 0.000 2.521 404 N HA 0.024 4.806 4.740 0.069 0.000 0.188 404 N C 0.155 175.666 175.510 0.001 0.000 1.146 404 N CA 0.178 53.244 53.050 0.027 0.000 0.893 404 N CB -0.518 38.002 38.487 0.054 0.000 0.975 404 N HN 0.686 nan 8.380 nan 0.000 0.451 405 D N 2.355 122.742 120.400 -0.021 0.000 2.793 405 D HA -0.106 4.575 4.640 0.069 0.000 0.230 405 D C -1.369 174.908 176.300 -0.038 0.000 1.139 405 D CA -0.653 53.349 54.000 0.002 0.000 0.838 405 D CB 1.139 41.874 40.800 -0.109 0.000 1.149 405 D HN 0.180 nan 8.370 nan 0.000 0.526 406 P HA -0.083 nan 4.420 nan 0.000 0.241 406 P C 1.468 178.770 177.300 0.004 0.000 1.191 406 P CA 0.039 63.137 63.100 -0.004 0.000 0.771 406 P CB 0.447 32.132 31.700 -0.025 0.000 0.929 407 L N -0.233 121.009 121.223 0.032 0.000 2.102 407 L HA 0.034 4.415 4.340 0.069 0.000 0.202 407 L C 2.351 179.131 176.870 -0.150 0.000 1.076 407 L CA 1.197 56.056 54.840 0.032 0.000 0.761 407 L CB -1.568 40.604 42.059 0.188 0.000 0.921 407 L HN -0.173 nan 8.230 nan 0.000 0.444 408 L N -0.390 120.560 121.223 -0.455 0.000 2.012 408 L HA -0.237 4.145 4.340 0.069 0.000 0.210 408 L C 2.484 179.098 176.870 -0.427 0.000 1.073 408 L CA 1.823 56.195 54.840 -0.780 0.000 0.748 408 L CB -0.984 40.387 42.059 -1.146 0.000 0.891 408 L HN 0.381 nan 8.230 nan 0.000 0.431 409 Q N -0.148 119.469 119.800 -0.305 0.000 2.062 409 Q HA -0.210 4.172 4.340 0.069 0.000 0.209 409 Q C 2.106 178.023 176.000 -0.139 0.000 0.996 409 Q CA 2.032 57.703 55.803 -0.219 0.000 0.859 409 Q CB -0.987 27.673 28.738 -0.131 0.000 0.920 409 Q HN 0.711 nan 8.270 nan 0.000 0.415 410 G N 0.476 109.228 108.800 -0.080 0.000 2.403 410 G HA2 -0.229 3.772 3.960 0.069 0.000 0.216 410 G HA3 -0.229 3.772 3.960 0.069 0.000 0.216 410 G C 1.524 176.450 174.900 0.044 0.000 1.154 410 G CA 0.408 45.511 45.100 0.005 0.000 0.784 410 G HN 0.257 nan 8.290 nan 0.000 0.538 411 R N -0.079 120.393 120.500 -0.046 0.000 2.103 411 R HA -0.049 4.332 4.340 0.069 0.000 0.242 411 R C 2.563 178.922 176.300 0.098 0.000 1.142 411 R CA 1.210 57.331 56.100 0.034 0.000 0.960 411 R CB -0.553 29.714 30.300 -0.055 0.000 0.858 411 R HN 0.351 nan 8.270 nan 0.000 0.439 412 L N -0.473 120.703 121.223 -0.078 0.000 2.127 412 L HA -0.216 4.165 4.340 0.069 0.000 0.211 412 L C 2.328 179.330 176.870 0.220 0.000 1.089 412 L CA 1.169 55.971 54.840 -0.063 0.000 0.757 412 L CB -0.492 41.396 42.059 -0.286 0.000 0.899 412 L HN 0.167 nan 8.230 nan 0.000 0.434 413 F N 0.158 120.146 119.950 0.064 0.000 2.163 413 F HA -0.189 4.379 4.527 0.070 0.000 0.297 413 F C 2.789 178.650 175.800 0.102 0.000 1.094 413 F CA 1.606 59.646 58.000 0.067 0.000 1.290 413 F CB -0.252 38.762 39.000 0.024 0.000 1.017 413 F HN -0.044 nan 8.300 nan 0.000 0.483 414 S N -0.889 114.864 115.700 0.088 0.000 2.371 414 S HA -0.187 4.324 4.470 0.069 0.000 0.224 414 S C 2.054 176.564 174.600 -0.149 0.000 1.029 414 S CA 1.277 59.421 58.200 -0.093 0.000 0.978 414 S CB -0.746 62.437 63.200 -0.028 0.000 0.833 414 S HN 0.538 nan 8.310 nan 0.000 0.466 415 Y N 1.561 121.872 120.300 0.017 0.000 2.263 415 Y HA -0.047 4.544 4.550 0.069 0.000 0.292 415 Y C 2.964 178.577 175.900 -0.480 0.000 1.130 415 Y CA 1.395 59.495 58.100 0.001 0.000 1.179 415 Y CB -0.758 38.393 38.460 1.152 0.000 0.998 415 Y HN 0.256 nan 8.280 nan 0.000 0.532 416 T N -0.440 113.757 114.554 -0.595 0.000 2.674 416 T HA -0.223 4.168 4.350 0.069 0.000 0.265 416 T C 1.431 175.936 174.700 -0.325 0.000 1.039 416 T CA 1.743 63.569 62.100 -0.457 0.000 1.150 416 T CB -0.499 68.159 68.868 -0.351 0.000 0.864 416 T HN 0.345 nan 8.240 nan 0.000 0.427 417 D N 0.513 120.667 120.400 -0.410 0.000 2.092 417 D HA -0.132 4.549 4.640 0.069 0.000 0.193 417 D C 2.315 178.472 176.300 -0.238 0.000 0.994 417 D CA 1.758 55.537 54.000 -0.368 0.000 0.828 417 D CB -0.555 39.860 40.800 -0.642 0.000 0.963 417 D HN 0.265 nan 8.370 nan 0.000 0.450 418 T N -1.103 113.305 114.554 -0.244 0.000 2.833 418 T HA -0.164 4.228 4.350 0.069 0.000 0.269 418 T C 1.878 176.465 174.700 -0.188 0.000 1.054 418 T CA 1.554 63.548 62.100 -0.177 0.000 1.135 418 T CB -0.228 68.536 68.868 -0.172 0.000 0.869 418 T HN 0.219 nan 8.240 nan 0.000 0.466 419 Q N -0.131 119.490 119.800 -0.298 0.000 2.224 419 Q HA -0.013 4.368 4.340 0.069 0.000 0.203 419 Q C 2.186 178.040 176.000 -0.243 0.000 0.970 419 Q CA 0.976 56.522 55.803 -0.429 0.000 0.865 419 Q CB -0.083 28.077 28.738 -0.963 0.000 0.922 419 Q HN 0.457 nan 8.270 nan 0.000 0.445 420 I N 0.405 120.912 120.570 -0.104 0.000 2.264 420 I HA -0.252 3.959 4.170 0.069 0.000 0.248 420 I C 2.355 178.492 176.117 0.033 0.000 1.111 420 I CA 1.752 63.077 61.300 0.042 0.000 1.382 420 I CB -1.385 36.638 38.000 0.038 0.000 1.060 420 I HN 0.235 nan 8.210 nan 0.000 0.418 421 S N 0.229 115.925 115.700 -0.006 0.000 2.427 421 S HA -0.059 4.453 4.470 0.069 0.000 0.224 421 S C 2.165 176.771 174.600 0.010 0.000 1.047 421 S CA 0.157 58.366 58.200 0.014 0.000 0.953 421 S CB -0.360 62.847 63.200 0.010 0.000 0.824 421 S HN 0.292 nan 8.310 nan 0.000 0.502 422 R N 1.016 121.501 120.500 -0.026 0.000 2.091 422 R HA 0.091 4.472 4.340 0.069 0.000 0.238 422 R C 1.430 177.720 176.300 -0.016 0.000 1.136 422 R CA 1.667 57.751 56.100 -0.026 0.000 0.959 422 R CB -0.332 29.930 30.300 -0.064 0.000 0.856 422 R HN 0.479 nan 8.270 nan 0.000 0.437 423 L N -0.915 120.291 121.223 -0.027 0.000 2.769 423 L HA 0.334 4.715 4.340 0.069 0.000 0.240 423 L C 0.812 177.719 176.870 0.063 0.000 1.163 423 L CA 0.270 55.110 54.840 -0.001 0.000 0.962 423 L CB 1.095 43.145 42.059 -0.014 0.000 1.258 423 L HN 0.591 nan 8.230 nan 0.000 0.513 424 G N 0.001 108.857 108.800 0.094 0.000 2.143 424 G HA2 -0.078 3.923 3.960 0.069 0.000 0.249 424 G HA3 -0.078 3.923 3.960 0.069 0.000 0.249 424 G C 0.432 175.464 174.900 0.222 0.000 0.981 424 G CA -0.013 45.186 45.100 0.166 0.000 0.665 424 G HN 0.799 nan 8.290 nan 0.000 0.528 425 G N -1.576 107.344 108.800 0.200 0.000 2.369 425 G HA2 0.572 4.573 3.960 0.069 0.000 0.293 425 G HA3 0.572 4.573 3.960 0.069 0.000 0.293 425 G C -2.246 172.802 174.900 0.247 0.000 1.301 425 G CA 0.342 45.556 45.100 0.191 0.000 0.913 425 G HN 0.518 nan 8.290 nan 0.000 0.540 426 P HA 0.157 nan 4.420 nan 0.000 0.255 426 P C 0.252 177.500 177.300 -0.087 0.000 1.248 426 P CA 0.261 63.423 63.100 0.103 0.000 0.807 426 P CB 0.188 31.925 31.700 0.063 0.000 1.150 427 N N 0.394 119.063 118.700 -0.053 0.000 2.327 427 N HA 0.065 4.846 4.740 0.069 0.000 0.231 427 N C 1.030 176.321 175.510 -0.365 0.000 1.130 427 N CA -0.176 52.728 53.050 -0.245 0.000 0.845 427 N CB -0.572 37.832 38.487 -0.139 0.000 1.073 427 N HN 0.244 nan 8.380 nan 0.000 0.496 428 F N 0.902 120.823 119.950 -0.048 0.000 2.333 428 F HA -0.088 4.479 4.527 0.067 0.000 0.300 428 F C 2.184 177.911 175.800 -0.120 0.000 1.083 428 F CA 0.814 58.762 58.000 -0.086 0.000 1.395 428 F CB -0.866 38.106 39.000 -0.046 0.000 1.056 428 F HN 0.169 nan 8.300 nan 0.000 0.529 429 H N 0.350 119.074 119.070 -0.577 0.000 2.546 429 H HA 0.081 4.679 4.556 0.070 0.000 0.277 429 H C 0.849 176.049 175.328 -0.213 0.000 1.004 429 H CA 1.236 57.073 56.048 -0.351 0.000 1.231 429 H CB -0.810 28.617 29.762 -0.559 0.000 1.382 429 H HN 0.525 nan 8.280 nan 0.000 0.580 430 E N 1.025 120.810 120.200 -0.692 0.000 2.442 430 E HA 0.166 4.558 4.350 0.069 0.000 0.195 430 E C 0.373 176.862 176.600 -0.186 0.000 1.030 430 E CA -0.265 55.908 56.400 -0.378 0.000 0.869 430 E CB 0.484 29.951 29.700 -0.387 0.000 0.857 430 E HN 0.431 nan 8.360 nan 0.000 0.505 431 I N 2.795 123.274 120.570 -0.153 0.000 2.668 431 I HA -0.063 4.148 4.170 0.069 0.000 0.285 431 I C -1.561 174.497 176.117 -0.098 0.000 1.168 431 I CA -1.299 59.939 61.300 -0.102 0.000 1.424 431 I CB 0.471 38.422 38.000 -0.082 0.000 1.377 431 I HN -0.194 nan 8.210 nan 0.000 0.560 432 P HA -0.255 nan 4.420 nan 0.000 0.217 432 P C 1.723 178.949 177.300 -0.123 0.000 1.158 432 P CA 1.325 64.368 63.100 -0.096 0.000 0.887 432 P CB 0.171 31.820 31.700 -0.085 0.000 0.792 433 I N -0.807 119.660 120.570 -0.171 0.000 2.454 433 I HA -0.176 4.035 4.170 0.069 0.000 0.254 433 I C 1.330 177.365 176.117 -0.136 0.000 1.156 433 I CA 1.659 62.803 61.300 -0.259 0.000 1.433 433 I CB -0.690 37.038 38.000 -0.454 0.000 1.082 433 I HN -0.110 nan 8.210 nan 0.000 0.432 434 N N 0.676 119.315 118.700 -0.102 0.000 2.463 434 N HA 0.012 4.793 4.740 0.069 0.000 0.181 434 N C 0.396 175.927 175.510 0.035 0.000 1.078 434 N CA 0.259 53.285 53.050 -0.040 0.000 0.902 434 N CB -0.175 38.308 38.487 -0.007 0.000 0.970 434 N HN 0.359 nan 8.380 nan 0.000 0.451 435 R N 1.783 122.299 120.500 0.028 0.000 2.489 435 R HA 0.119 4.501 4.340 0.069 0.000 0.287 435 R C -2.135 174.239 176.300 0.123 0.000 1.053 435 R CA -1.136 54.990 56.100 0.043 0.000 1.036 435 R CB 0.067 30.368 30.300 0.001 0.000 0.966 435 R HN 0.064 nan 8.270 nan 0.000 0.432 436 P HA -0.021 nan 4.420 nan 0.000 0.270 436 P C 0.502 177.875 177.300 0.121 0.000 1.223 436 P CA 0.059 63.249 63.100 0.152 0.000 0.785 436 P CB 0.617 32.372 31.700 0.091 0.000 0.923 437 T N -2.849 111.783 114.554 0.130 0.000 3.037 437 T HA 0.068 4.459 4.350 0.069 0.000 0.251 437 T C 0.967 175.705 174.700 0.064 0.000 1.079 437 T CA 0.027 62.159 62.100 0.052 0.000 1.067 437 T CB -0.965 67.919 68.868 0.027 0.000 0.948 437 T HN 0.608 nan 8.240 nan 0.000 0.496 438 C N 1.387 120.742 119.300 0.092 0.000 2.347 438 C HA 0.780 5.282 4.460 0.069 0.000 0.366 438 C C -2.478 172.561 174.990 0.082 0.000 1.241 438 C CA -2.556 56.514 59.018 0.086 0.000 2.360 438 C CB 0.196 27.995 27.740 0.099 0.000 2.290 438 C HN 0.169 nan 8.230 nan 0.000 0.587 439 P HA 0.259 nan 4.420 nan 0.000 0.266 439 P C -1.218 176.123 177.300 0.067 0.000 1.195 439 P CA 0.510 63.659 63.100 0.083 0.000 0.768 439 P CB -0.084 31.724 31.700 0.180 0.000 0.838 440 Y N 1.067 121.216 120.300 -0.250 0.000 2.386 440 Y HA 0.649 5.240 4.550 0.068 0.000 0.334 440 Y C -1.392 174.157 175.900 -0.585 0.000 1.002 440 Y CA -0.947 56.996 58.100 -0.262 0.000 1.068 440 Y CB 1.467 39.818 38.460 -0.181 0.000 1.203 440 Y HN 0.437 nan 8.280 nan 0.000 0.443 441 H N 4.103 123.141 119.070 -0.052 0.000 2.966 441 H HA 0.504 5.102 4.556 0.070 0.000 0.347 441 H C -1.176 174.080 175.328 -0.120 0.000 1.048 441 H CA -0.751 55.180 56.048 -0.195 0.000 1.295 441 H CB 1.581 31.232 29.762 -0.186 0.000 1.744 441 H HN 0.900 nan 8.280 nan 0.000 0.513 442 N N 0.557 119.190 118.700 -0.112 0.000 3.449 442 N HA 0.166 4.948 4.740 0.069 0.000 0.312 442 N C -1.222 174.073 175.510 -0.359 0.000 1.557 442 N CA -0.924 51.999 53.050 -0.212 0.000 0.864 442 N CB 0.598 39.107 38.487 0.037 0.000 1.799 442 N HN 0.294 nan 8.380 nan 0.000 0.554 443 F N -0.243 119.756 119.950 0.082 0.000 2.639 443 F HA 0.364 4.933 4.527 0.069 0.000 0.302 443 F C 0.435 176.280 175.800 0.076 0.000 1.097 443 F CA -0.348 57.693 58.000 0.069 0.000 1.294 443 F CB 0.230 39.262 39.000 0.053 0.000 1.027 443 F HN 0.144 nan 8.300 nan 0.000 0.550 444 Q N 1.334 121.247 119.800 0.188 0.000 2.340 444 Q HA 0.446 4.827 4.340 0.069 0.000 0.249 444 Q C 0.005 176.082 176.000 0.128 0.000 0.957 444 Q CA -0.160 55.728 55.803 0.141 0.000 0.882 444 Q CB 1.058 29.848 28.738 0.087 0.000 1.235 444 Q HN 0.055 nan 8.270 nan 0.000 0.439 445 R N 1.438 122.004 120.500 0.110 0.000 2.774 445 R HA 0.362 4.743 4.340 0.069 0.000 0.272 445 R C -0.800 175.543 176.300 0.073 0.000 1.000 445 R CA -0.607 55.550 56.100 0.094 0.000 0.906 445 R CB 1.326 31.686 30.300 0.100 0.000 1.227 445 R HN 0.732 nan 8.270 nan 0.000 0.468 446 D N -0.260 120.175 120.400 0.059 0.000 3.563 446 D HA -0.123 4.559 4.640 0.069 0.000 0.237 446 D C 0.252 176.574 176.300 0.036 0.000 1.680 446 D CA 1.886 55.911 54.000 0.041 0.000 1.151 446 D CB -1.019 39.803 40.800 0.037 0.000 0.751 446 D HN 0.894 nan 8.370 nan 0.000 0.930 447 G N -1.390 107.425 108.800 0.025 0.000 2.692 447 G HA2 0.228 4.230 3.960 0.069 0.000 0.686 447 G HA3 0.228 4.230 3.960 0.069 0.000 0.686 447 G C -0.278 174.622 174.900 -0.000 0.000 1.243 447 G CA 0.011 45.125 45.100 0.023 0.000 0.782 447 G HN 0.798 nan 8.290 nan 0.000 0.625 448 M N 2.538 122.127 119.600 -0.019 0.000 2.250 448 M HA 0.358 4.879 4.480 0.069 0.000 0.337 448 M C 1.372 177.643 176.300 -0.049 0.000 1.161 448 M CA 0.792 56.013 55.300 -0.132 0.000 1.088 448 M CB -0.534 31.958 32.600 -0.181 0.000 1.639 448 M HN 1.087 nan 8.290 nan 0.000 0.447 449 H N 1.023 120.092 119.070 -0.003 0.000 2.770 449 H HA -0.177 4.418 4.556 0.065 0.000 0.309 449 H C -0.303 175.008 175.328 -0.027 0.000 1.206 449 H CA 0.718 56.759 56.048 -0.011 0.000 1.147 449 H CB -1.649 28.107 29.762 -0.009 0.000 1.422 449 H HN 0.614 nan 8.280 nan 0.000 0.420 450 R N 1.196 121.725 120.500 0.048 0.000 2.370 450 R HA 0.105 4.486 4.340 0.069 0.000 0.309 450 R C 1.318 177.628 176.300 0.017 0.000 1.059 450 R CA -0.084 56.031 56.100 0.025 0.000 0.981 450 R CB 0.367 30.679 30.300 0.020 0.000 0.972 450 R HN 0.152 nan 8.270 nan 0.000 0.437 451 M N 2.596 122.193 119.600 -0.005 0.000 2.412 451 M HA 0.214 4.735 4.480 0.069 0.000 0.263 451 M C 0.981 177.276 176.300 -0.009 0.000 1.122 451 M CA 1.029 56.323 55.300 -0.010 0.000 1.179 451 M CB -0.838 31.742 32.600 -0.033 0.000 1.335 451 M HN 0.702 nan 8.290 nan 0.000 0.465 452 G N 1.799 110.597 108.800 -0.003 0.000 2.365 452 G HA2 0.401 4.402 3.960 0.069 0.000 0.249 452 G HA3 0.401 4.402 3.960 0.069 0.000 0.249 452 G C -0.433 174.463 174.900 -0.006 0.000 1.288 452 G CA -0.376 44.717 45.100 -0.012 0.000 0.887 452 G HN 0.304 nan 8.290 nan 0.000 0.524 453 I N 2.773 123.333 120.570 -0.017 0.000 2.306 453 I HA 0.105 4.317 4.170 0.069 0.000 0.288 453 I C -0.239 175.870 176.117 -0.013 0.000 1.036 453 I CA -0.504 60.791 61.300 -0.007 0.000 1.221 453 I CB 0.977 38.973 38.000 -0.007 0.000 1.385 453 I HN 0.372 nan 8.210 nan 0.000 0.472 454 D N 4.744 125.143 120.400 -0.002 0.000 2.351 454 D HA 0.091 4.773 4.640 0.069 0.000 0.251 454 D C 1.054 177.358 176.300 0.007 0.000 1.137 454 D CA 0.233 54.232 54.000 -0.003 0.000 0.879 454 D CB 1.816 42.624 40.800 0.014 0.000 1.181 454 D HN 0.563 nan 8.370 nan 0.000 0.448 455 T N -1.143 113.410 114.554 -0.001 0.000 3.054 455 T HA -0.036 4.355 4.350 0.069 0.000 0.255 455 T C 0.763 175.473 174.700 0.016 0.000 1.035 455 T CA -0.571 61.532 62.100 0.006 0.000 0.941 455 T CB 0.167 69.031 68.868 -0.007 0.000 1.026 455 T HN 0.115 nan 8.240 nan 0.000 0.533 456 N N 3.504 122.215 118.700 0.018 0.000 2.411 456 N HA 0.095 4.876 4.740 0.069 0.000 0.265 456 N C -1.648 173.906 175.510 0.072 0.000 1.266 456 N CA -1.467 51.608 53.050 0.041 0.000 0.889 456 N CB 1.463 39.973 38.487 0.038 0.000 1.069 456 N HN 0.078 nan 8.380 nan 0.000 0.476 457 P HA -0.008 nan 4.420 nan 0.000 0.222 457 P C -0.561 176.809 177.300 0.116 0.000 1.147 457 P CA 0.833 63.984 63.100 0.084 0.000 0.790 457 P CB 0.238 31.983 31.700 0.074 0.000 0.780 458 A N 0.772 123.655 122.820 0.104 0.000 2.317 458 A HA 0.416 4.777 4.320 0.069 0.000 0.327 458 A C 0.461 178.165 177.584 0.200 0.000 1.178 458 A CA -0.718 51.342 52.037 0.039 0.000 0.817 458 A CB 0.145 18.970 19.000 -0.292 0.000 1.189 458 A HN 0.246 nan 8.150 nan 0.000 0.489 459 N N 0.435 119.294 118.700 0.266 0.000 2.338 459 N HA 0.359 5.140 4.740 0.069 0.000 0.251 459 N C -0.864 174.820 175.510 0.289 0.000 1.199 459 N CA -0.320 52.958 53.050 0.381 0.000 0.879 459 N CB 0.259 38.915 38.487 0.282 0.000 1.159 459 N HN 0.690 nan 8.380 nan 0.000 0.514 460 Y N -1.139 119.046 120.300 -0.191 0.000 2.609 460 Y HA 0.632 5.223 4.550 0.069 0.000 0.336 460 Y C -1.634 173.689 175.900 -0.962 0.000 1.129 460 Y CA -1.377 56.428 58.100 -0.492 0.000 1.040 460 Y CB 1.024 39.359 38.460 -0.207 0.000 1.310 460 Y HN 0.075 nan 8.280 nan 0.000 0.460 461 E N 1.152 120.869 120.200 -0.806 0.000 2.331 461 E HA 0.680 5.072 4.350 0.069 0.000 0.275 461 E C -3.202 173.284 176.600 -0.190 0.000 0.895 461 E CA -1.980 54.057 56.400 -0.605 0.000 0.753 461 E CB 1.709 30.974 29.700 -0.725 0.000 1.216 461 E HN 0.535 nan 8.360 nan 0.000 0.434 462 P HA 0.314 nan 4.420 nan 0.000 0.275 462 P C -1.283 175.966 177.300 -0.084 0.000 1.228 462 P CA -0.470 62.561 63.100 -0.116 0.000 0.786 462 P CB 0.487 32.157 31.700 -0.051 0.000 0.927 463 N N -1.548 117.031 118.700 -0.202 0.000 2.262 463 N HA 0.391 5.172 4.740 0.069 0.000 0.295 463 N C 0.292 175.763 175.510 -0.065 0.000 1.161 463 N CA -0.744 52.204 53.050 -0.171 0.000 0.767 463 N CB 1.460 39.557 38.487 -0.648 0.000 1.499 463 N HN 0.182 nan 8.380 nan 0.000 0.476 464 S N 0.689 116.398 115.700 0.015 0.000 2.497 464 S HA -0.014 4.497 4.470 0.069 0.000 0.221 464 S C 1.607 176.228 174.600 0.036 0.000 1.037 464 S CA 0.062 58.273 58.200 0.019 0.000 0.920 464 S CB -0.808 62.412 63.200 0.033 0.000 0.800 464 S HN 0.713 nan 8.310 nan 0.000 0.505 465 I N -0.400 120.202 120.570 0.053 0.000 2.756 465 I HA 0.160 4.371 4.170 0.069 0.000 0.262 465 I C 1.235 177.390 176.117 0.063 0.000 1.225 465 I CA 1.407 62.747 61.300 0.066 0.000 1.472 465 I CB -0.421 37.638 38.000 0.099 0.000 1.094 465 I HN 0.201 nan 8.210 nan 0.000 0.454 466 N N 1.086 119.821 118.700 0.059 0.000 2.365 466 N HA 0.047 4.828 4.740 0.069 0.000 0.257 466 N C -0.108 175.517 175.510 0.192 0.000 1.287 466 N CA -0.061 53.062 53.050 0.120 0.000 0.882 466 N CB 0.026 38.596 38.487 0.138 0.000 1.250 466 N HN 0.203 nan 8.380 nan 0.000 0.507 467 D N 0.731 121.199 120.400 0.114 0.000 2.751 467 D HA -0.259 4.422 4.640 0.069 0.000 0.233 467 D C 0.012 176.246 176.300 -0.110 0.000 1.149 467 D CA 1.140 55.184 54.000 0.074 0.000 0.682 467 D CB -1.314 39.613 40.800 0.211 0.000 1.068 467 D HN 0.503 nan 8.370 nan 0.000 0.429 468 N N -1.819 116.829 118.700 -0.087 0.000 2.828 468 N HA -0.249 4.533 4.740 0.069 0.000 0.248 468 N C -0.769 174.672 175.510 -0.116 0.000 1.044 468 N CA 1.458 54.414 53.050 -0.156 0.000 0.851 468 N CB -1.300 37.046 38.487 -0.234 0.000 1.136 468 N HN 0.530 nan 8.380 nan 0.000 0.572 469 W N 1.263 122.618 121.300 0.092 0.000 2.313 469 W HA 0.430 5.131 4.660 0.069 0.000 0.328 469 W C -1.637 174.941 176.519 0.098 0.000 1.197 469 W CA -1.577 55.811 57.345 0.071 0.000 1.235 469 W CB 0.460 29.908 29.460 -0.020 0.000 1.158 469 W HN -0.035 nan 8.180 nan 0.000 0.578 470 P HA 0.174 nan 4.420 nan 0.000 0.275 470 P C -0.646 176.791 177.300 0.228 0.000 1.228 470 P CA -0.094 63.147 63.100 0.233 0.000 0.786 470 P CB 0.983 32.670 31.700 -0.021 0.000 0.927 471 R N 1.212 121.807 120.500 0.159 0.000 2.604 471 R HA 0.321 4.702 4.340 0.069 0.000 0.287 471 R C 0.368 176.686 176.300 0.029 0.000 0.970 471 R CA -0.811 55.248 56.100 -0.068 0.000 0.946 471 R CB 1.237 31.250 30.300 -0.478 0.000 1.127 471 R HN 0.499 nan 8.270 nan 0.000 0.473 472 E N 0.521 120.731 120.200 0.016 0.000 2.422 472 E HA 0.046 4.437 4.350 0.069 0.000 0.260 472 E C -0.548 176.068 176.600 0.027 0.000 1.108 472 E CA 0.640 57.066 56.400 0.043 0.000 0.943 472 E CB 0.703 30.421 29.700 0.029 0.000 0.961 472 E HN 0.338 nan 8.360 nan 0.000 0.443 473 T N 3.157 117.741 114.554 0.050 0.000 2.841 473 T HA 0.340 4.731 4.350 0.069 0.000 0.285 473 T C -2.435 172.287 174.700 0.037 0.000 0.991 473 T CA -1.478 60.651 62.100 0.047 0.000 0.966 473 T CB 1.502 70.413 68.868 0.071 0.000 0.962 473 T HN 0.239 nan 8.240 nan 0.000 0.438 474 P HA 0.221 nan 4.420 nan 0.000 0.269 474 P C -2.419 174.887 177.300 0.011 0.000 1.215 474 P CA -1.096 62.011 63.100 0.012 0.000 0.780 474 P CB -0.220 31.482 31.700 0.003 0.000 0.898 475 P HA 0.279 nan 4.420 nan 0.000 0.269 475 P C -0.098 177.192 177.300 -0.017 0.000 1.215 475 P CA 0.308 63.395 63.100 -0.021 0.000 0.780 475 P CB 0.691 32.357 31.700 -0.057 0.000 0.898 476 G N 0.678 109.467 108.800 -0.017 0.000 2.550 476 G HA2 0.399 4.400 3.960 0.069 0.000 0.293 476 G HA3 0.399 4.400 3.960 0.069 0.000 0.293 476 G C -2.665 172.227 174.900 -0.015 0.000 1.402 476 G CA -0.805 44.288 45.100 -0.011 0.000 0.784 476 G HN 0.076 nan 8.290 nan 0.000 0.482 477 P HA 0.076 nan 4.420 nan 0.000 0.220 477 P C 0.093 177.389 177.300 -0.006 0.000 1.148 477 P CA 1.161 64.253 63.100 -0.014 0.000 0.803 477 P CB 0.170 31.864 31.700 -0.010 0.000 0.782 478 K N -1.972 118.432 120.400 0.005 0.000 2.523 478 K HA 0.361 4.723 4.320 0.069 0.000 0.257 478 K C -0.378 176.238 176.600 0.028 0.000 0.932 478 K CA -0.840 55.456 56.287 0.016 0.000 0.812 478 K CB 1.770 34.280 32.500 0.017 0.000 1.326 478 K HN -0.324 nan 8.250 nan 0.000 0.433 479 R N -0.291 120.233 120.500 0.040 0.000 3.741 479 R HA -0.148 4.233 4.340 0.069 0.000 0.292 479 R C 0.215 176.547 176.300 0.053 0.000 1.176 479 R CA 1.270 57.401 56.100 0.052 0.000 0.794 479 R CB -2.227 28.104 30.300 0.051 0.000 1.213 479 R HN 1.019 nan 8.270 nan 0.000 0.494 480 G N -0.812 108.014 108.800 0.044 0.000 2.502 480 G HA2 0.592 4.593 3.960 0.069 0.000 0.305 480 G HA3 0.592 4.593 3.960 0.069 0.000 0.305 480 G C 0.338 175.274 174.900 0.061 0.000 1.190 480 G CA 0.071 45.196 45.100 0.041 0.000 0.933 480 G HN 0.244 nan 8.290 nan 0.000 0.503 481 G N -1.226 107.611 108.800 0.062 0.000 2.544 481 G HA2 0.384 4.386 3.960 0.069 0.000 0.242 481 G HA3 0.384 4.386 3.960 0.069 0.000 0.242 481 G C -0.571 174.388 174.900 0.099 0.000 1.247 481 G CA -0.485 44.672 45.100 0.096 0.000 0.840 481 G HN 0.449 nan 8.290 nan 0.000 0.578 482 F N 0.695 120.660 119.950 0.026 0.000 2.504 482 F HA 0.367 4.936 4.527 0.070 0.000 0.369 482 F C 0.572 176.388 175.800 0.026 0.000 1.082 482 F CA -0.159 57.852 58.000 0.019 0.000 1.216 482 F CB 0.828 39.842 39.000 0.023 0.000 1.108 482 F HN 0.462 nan 8.300 nan 0.000 0.554 483 E N 3.885 123.740 120.200 -0.575 0.000 2.272 483 E HA 0.347 4.738 4.350 0.069 0.000 0.269 483 E C -1.175 175.061 176.600 -0.608 0.000 0.877 483 E CA -0.813 55.377 56.400 -0.351 0.000 0.755 483 E CB 1.647 31.234 29.700 -0.187 0.000 1.192 483 E HN 0.616 nan 8.360 nan 0.000 0.422 484 S N 2.250 117.818 115.700 -0.220 0.000 2.580 484 S HA 0.065 4.576 4.470 0.069 0.000 0.274 484 S C -0.688 173.884 174.600 -0.046 0.000 1.329 484 S CA -0.431 57.724 58.200 -0.075 0.000 1.036 484 S CB 0.247 63.548 63.200 0.169 0.000 0.919 484 S HN 0.469 nan 8.310 nan 0.000 0.515 485 Y N 2.526 122.749 120.300 -0.128 0.000 2.620 485 Y HA -0.003 4.588 4.550 0.069 0.000 0.330 485 Y C 0.796 176.670 175.900 -0.044 0.000 1.186 485 Y CA 0.072 58.112 58.100 -0.100 0.000 1.467 485 Y CB 0.166 38.567 38.460 -0.098 0.000 1.262 485 Y HN 0.576 nan 8.280 nan 0.000 0.550 486 Q N 5.455 124.893 119.800 -0.604 0.000 3.184 486 Q HA 0.009 4.390 4.340 0.069 0.000 0.288 486 Q C -0.206 175.466 176.000 -0.547 0.000 1.412 486 Q CA -0.013 55.527 55.803 -0.438 0.000 0.991 486 Q CB -0.190 28.370 28.738 -0.297 0.000 1.688 486 Q HN 0.654 nan 8.270 nan 0.000 0.554 487 E N 1.564 121.520 120.200 -0.405 0.000 2.392 487 E HA 0.014 4.405 4.350 0.069 0.000 0.264 487 E C -0.155 176.389 176.600 -0.093 0.000 1.024 487 E CA -0.561 55.722 56.400 -0.196 0.000 0.903 487 E CB 0.670 30.408 29.700 0.063 0.000 0.963 487 E HN 0.190 nan 8.360 nan 0.000 0.432 488 R N 3.010 123.483 120.500 -0.046 0.000 2.449 488 R HA 0.141 4.523 4.340 0.069 0.000 0.296 488 R C -1.459 174.855 176.300 0.024 0.000 1.047 488 R CA -0.083 56.012 56.100 -0.009 0.000 1.018 488 R CB 0.530 30.838 30.300 0.014 0.000 0.962 488 R HN 0.259 nan 8.270 nan 0.000 0.428 489 V N 4.863 124.786 119.914 0.014 0.000 2.495 489 V HA 0.458 4.619 4.120 0.069 0.000 0.298 489 V C -0.470 175.633 176.094 0.016 0.000 1.031 489 V CA -0.612 61.702 62.300 0.023 0.000 0.871 489 V CB 1.535 33.368 31.823 0.018 0.000 0.988 489 V HN 0.897 nan 8.190 nan 0.000 0.432 490 E N 2.647 122.859 120.200 0.019 0.000 2.349 490 E HA 0.619 5.010 4.350 0.069 0.000 0.290 490 E C -0.455 176.150 176.600 0.007 0.000 0.901 490 E CA -0.027 56.380 56.400 0.011 0.000 0.800 490 E CB 1.817 31.524 29.700 0.011 0.000 1.303 490 E HN 1.026 nan 8.360 nan 0.000 0.397 491 G N 2.721 111.521 108.800 -0.000 0.000 2.324 491 G HA2 0.065 4.067 3.960 0.069 0.000 0.293 491 G HA3 0.065 4.067 3.960 0.069 0.000 0.293 491 G C -1.454 173.439 174.900 -0.011 0.000 1.297 491 G CA -0.979 44.117 45.100 -0.006 0.000 0.853 491 G HN 0.405 nan 8.290 nan 0.000 0.535 492 N N 0.303 118.994 118.700 -0.015 0.000 2.463 492 N HA 0.349 5.130 4.740 0.069 0.000 0.270 492 N C -0.139 175.357 175.510 -0.022 0.000 1.205 492 N CA -0.263 52.776 53.050 -0.018 0.000 0.974 492 N CB 0.915 39.390 38.487 -0.019 0.000 1.197 492 N HN 0.482 nan 8.380 nan 0.000 0.504 493 K N 0.857 121.243 120.400 -0.023 0.000 2.351 493 K HA 0.170 4.531 4.320 0.069 0.000 0.287 493 K C -0.326 176.253 176.600 -0.035 0.000 1.068 493 K CA -0.158 56.112 56.287 -0.028 0.000 0.998 493 K CB -0.156 32.328 32.500 -0.026 0.000 0.968 493 K HN 0.349 nan 8.250 nan 0.000 0.464 494 V N 0.267 120.155 119.914 -0.043 0.000 2.789 494 V HA 0.458 4.619 4.120 0.069 0.000 0.311 494 V C -0.455 175.599 176.094 -0.067 0.000 1.073 494 V CA -1.315 60.954 62.300 -0.051 0.000 0.921 494 V CB 1.957 33.751 31.823 -0.048 0.000 1.009 494 V HN 0.612 nan 8.190 nan 0.000 0.426 495 R N 2.836 123.292 120.500 -0.074 0.000 2.391 495 R HA 0.569 4.950 4.340 0.069 0.000 0.310 495 R C -0.415 175.834 176.300 -0.085 0.000 1.174 495 R CA -0.082 55.961 56.100 -0.095 0.000 1.118 495 R CB 0.599 30.830 30.300 -0.115 0.000 1.134 495 R HN 0.944 nan 8.270 nan 0.000 0.524 496 E N 2.185 122.332 120.200 -0.090 0.000 2.321 496 E HA 0.198 4.590 4.350 0.069 0.000 0.281 496 E C -1.262 175.268 176.600 -0.117 0.000 0.910 496 E CA -0.988 55.362 56.400 -0.083 0.000 0.770 496 E CB 1.544 31.204 29.700 -0.068 0.000 1.225 496 E HN 0.141 nan 8.360 nan 0.000 0.417 497 R N 1.649 122.084 120.500 -0.109 0.000 2.491 497 R HA 0.199 4.580 4.340 0.069 0.000 0.283 497 R C -0.481 175.708 176.300 -0.184 0.000 1.072 497 R CA 0.179 56.176 56.100 -0.172 0.000 1.048 497 R CB 1.119 31.374 30.300 -0.074 0.000 0.983 497 R HN 0.392 nan 8.270 nan 0.000 0.450 498 S N 4.671 120.166 115.700 -0.342 0.000 2.533 498 S HA 0.139 4.650 4.470 0.069 0.000 0.282 498 S C -1.557 173.035 174.600 -0.013 0.000 1.304 498 S CA -1.293 56.799 58.200 -0.179 0.000 1.063 498 S CB 0.727 63.798 63.200 -0.215 0.000 0.881 498 S HN 0.519 nan 8.310 nan 0.000 0.493 499 P HA -0.121 nan 4.420 nan 0.000 0.218 499 P C 1.536 178.891 177.300 0.092 0.000 1.146 499 P CA 1.272 64.400 63.100 0.045 0.000 0.813 499 P CB -0.084 31.630 31.700 0.023 0.000 0.778 500 S N -2.109 113.685 115.700 0.156 0.000 2.469 500 S HA -0.130 4.382 4.470 0.069 0.000 0.238 500 S C 1.426 176.175 174.600 0.248 0.000 0.998 500 S CA 0.945 59.264 58.200 0.198 0.000 0.957 500 S CB -1.365 61.986 63.200 0.252 0.000 0.764 500 S HN -0.004 nan 8.310 nan 0.000 0.514 501 F N 2.047 121.982 119.950 -0.025 0.000 2.765 501 F HA 0.404 4.972 4.527 0.069 0.000 0.302 501 F C 1.885 177.602 175.800 -0.139 0.000 1.111 501 F CA -0.797 57.181 58.000 -0.037 0.000 1.359 501 F CB -0.422 38.591 39.000 0.022 0.000 1.097 501 F HN 0.346 nan 8.300 nan 0.000 0.577 502 G N 0.563 109.345 108.800 -0.029 0.000 3.741 502 G HA2 0.150 4.152 3.960 0.069 0.000 0.263 502 G HA3 0.150 4.152 3.960 0.069 0.000 0.263 502 G C -0.166 174.321 174.900 -0.688 0.000 1.175 502 G CA 0.069 44.975 45.100 -0.323 0.000 1.642 502 G HN 0.023 nan 8.290 nan 0.000 0.644 503 E N 0.271 119.980 120.200 -0.818 0.000 2.275 503 E HA 0.348 4.739 4.350 0.069 0.000 0.270 503 E C -0.887 175.277 176.600 -0.727 0.000 0.882 503 E CA -0.753 55.235 56.400 -0.688 0.000 0.758 503 E CB 1.653 31.203 29.700 -0.250 0.000 1.195 503 E HN 0.213 nan 8.360 nan 0.000 0.419 504 Y N 2.518 122.612 120.300 -0.344 0.000 2.432 504 Y HA 0.200 4.792 4.550 0.069 0.000 0.252 504 Y C 0.713 176.319 175.900 -0.491 0.000 1.097 504 Y CA -0.090 57.684 58.100 -0.543 0.000 1.250 504 Y CB 0.448 38.396 38.460 -0.853 0.000 1.245 504 Y HN 0.428 nan 8.280 nan 0.000 0.522 505 Y N -1.375 119.007 120.300 0.137 0.000 2.526 505 Y HA 0.086 4.677 4.550 0.069 0.000 0.265 505 Y C 2.429 178.385 175.900 0.094 0.000 1.092 505 Y CA 0.210 58.385 58.100 0.124 0.000 1.277 505 Y CB -0.370 38.168 38.460 0.130 0.000 1.228 505 Y HN 0.043 nan 8.280 nan 0.000 0.507 506 S N -0.696 115.136 115.700 0.220 0.000 2.402 506 S HA -0.186 4.326 4.470 0.069 0.000 0.229 506 S C 1.463 176.125 174.600 0.103 0.000 1.021 506 S CA 1.601 59.904 58.200 0.172 0.000 0.974 506 S CB -0.518 62.785 63.200 0.170 0.000 0.800 506 S HN 0.436 nan 8.310 nan 0.000 0.484 507 H N 2.714 121.699 119.070 -0.142 0.000 2.363 507 H HA 0.204 4.801 4.556 0.069 0.000 0.301 507 H C -0.663 174.449 175.328 -0.361 0.000 1.074 507 H CA 1.325 57.139 56.048 -0.390 0.000 1.354 507 H CB -1.614 27.715 29.762 -0.722 0.000 1.397 507 H HN 0.385 nan 8.280 nan 0.000 0.516 508 P HA -0.178 nan 4.420 nan 0.000 0.216 508 P C 1.423 178.902 177.300 0.300 0.000 1.153 508 P CA 1.692 64.929 63.100 0.228 0.000 0.858 508 P CB 0.093 31.961 31.700 0.280 0.000 0.789 509 R N -0.442 120.183 120.500 0.209 0.000 2.075 509 R HA -0.112 4.270 4.340 0.069 0.000 0.232 509 R C 2.145 178.566 176.300 0.201 0.000 1.126 509 R CA 1.069 57.298 56.100 0.215 0.000 0.963 509 R CB -1.020 29.369 30.300 0.148 0.000 0.858 509 R HN 0.083 nan 8.270 nan 0.000 0.435 510 L N 0.291 121.576 121.223 0.103 0.000 2.083 510 L HA -0.099 4.282 4.340 0.069 0.000 0.209 510 L C 1.928 178.850 176.870 0.088 0.000 1.083 510 L CA 1.636 56.501 54.840 0.041 0.000 0.752 510 L CB -0.523 41.486 42.059 -0.084 0.000 0.899 510 L HN 0.236 nan 8.230 nan 0.000 0.433 511 F N -1.006 118.971 119.950 0.047 0.000 2.128 511 F HA -0.216 4.352 4.527 0.069 0.000 0.295 511 F C 2.274 178.071 175.800 -0.005 0.000 1.100 511 F CA 1.803 59.811 58.000 0.014 0.000 1.260 511 F CB -0.608 38.444 39.000 0.087 0.000 1.009 511 F HN 0.335 nan 8.300 nan 0.000 0.476 512 W N 1.567 122.833 121.300 -0.056 0.000 2.318 512 W HA -0.260 4.441 4.660 0.069 0.000 0.313 512 W C 1.712 178.099 176.519 -0.219 0.000 1.221 512 W CA 1.948 59.212 57.345 -0.135 0.000 1.266 512 W CB -0.754 28.725 29.460 0.032 0.000 1.150 512 W HN 0.096 nan 8.180 nan 0.000 0.496 513 L N 1.099 122.217 121.223 -0.175 0.000 2.275 513 L HA -0.172 4.210 4.340 0.069 0.000 0.215 513 L C 2.350 179.020 176.870 -0.334 0.000 1.119 513 L CA 1.228 55.914 54.840 -0.257 0.000 0.790 513 L CB -0.727 41.305 42.059 -0.045 0.000 0.919 513 L HN -0.139 nan 8.230 nan 0.000 0.443 514 S N -1.532 113.951 115.700 -0.361 0.000 2.558 514 S HA 0.049 4.560 4.470 0.069 0.000 0.217 514 S C 0.688 175.004 174.600 -0.474 0.000 0.975 514 S CA 0.081 58.074 58.200 -0.345 0.000 0.912 514 S CB 0.012 63.050 63.200 -0.271 0.000 0.776 514 S HN 0.285 nan 8.310 nan 0.000 0.526 515 Q N 2.346 121.757 119.800 -0.648 0.000 2.259 515 Q HA 0.291 4.672 4.340 0.069 0.000 0.246 515 Q C 0.602 176.210 176.000 -0.653 0.000 0.920 515 Q CA -0.127 55.255 55.803 -0.701 0.000 0.895 515 Q CB 0.531 28.771 28.738 -0.830 0.000 1.220 515 Q HN 0.433 nan 8.270 nan 0.000 0.439 516 T N -1.429 112.698 114.554 -0.711 0.000 2.748 516 T HA 0.118 4.509 4.350 0.069 0.000 0.304 516 T C -1.694 172.557 174.700 -0.749 0.000 1.041 516 T CA -1.204 60.433 62.100 -0.773 0.000 1.033 516 T CB 0.230 68.361 68.868 -1.228 0.000 0.995 516 T HN 0.238 nan 8.240 nan 0.000 0.536 517 P HA -0.064 nan 4.420 nan 0.000 0.216 517 P C 1.397 178.496 177.300 -0.334 0.000 1.153 517 P CA 1.226 64.111 63.100 -0.358 0.000 0.858 517 P CB -0.255 31.345 31.700 -0.168 0.000 0.789 518 F N -0.295 119.455 119.950 -0.333 0.000 2.259 518 F HA 0.041 4.609 4.527 0.069 0.000 0.298 518 F C 1.869 177.303 175.800 -0.610 0.000 1.088 518 F CA 0.834 58.572 58.000 -0.438 0.000 1.358 518 F CB -1.514 37.216 39.000 -0.449 0.000 1.040 518 F HN -0.111 nan 8.300 nan 0.000 0.505 519 E N 0.575 120.241 120.200 -0.891 0.000 2.110 519 E HA -0.213 4.179 4.350 0.069 0.000 0.193 519 E C 2.199 178.599 176.600 -0.333 0.000 0.988 519 E CA 1.473 57.547 56.400 -0.543 0.000 0.804 519 E CB -0.261 29.065 29.700 -0.623 0.000 0.745 519 E HN 0.645 nan 8.360 nan 0.000 0.458 520 Q N 0.143 119.674 119.800 -0.449 0.000 2.119 520 Q HA -0.174 4.207 4.340 0.069 0.000 0.201 520 Q C 2.214 178.241 176.000 0.044 0.000 0.972 520 Q CA 1.120 56.697 55.803 -0.377 0.000 0.847 520 Q CB -0.104 28.152 28.738 -0.802 0.000 0.903 520 Q HN 0.014 nan 8.270 nan 0.000 0.433 521 R N 0.307 120.809 120.500 0.003 0.000 2.081 521 R HA -0.134 4.247 4.340 0.069 0.000 0.235 521 R C 1.720 178.197 176.300 0.296 0.000 1.131 521 R CA 1.706 57.897 56.100 0.152 0.000 0.960 521 R CB -0.269 30.099 30.300 0.114 0.000 0.856 521 R HN 0.447 nan 8.270 nan 0.000 0.436 522 H N -0.688 118.472 119.070 0.151 0.000 2.387 522 H HA -0.071 4.526 4.556 0.069 0.000 0.299 522 H C 2.052 177.487 175.328 0.178 0.000 1.090 522 H CA 1.317 57.466 56.048 0.168 0.000 1.332 522 H CB -0.019 29.849 29.762 0.176 0.000 1.386 522 H HN 0.191 nan 8.280 nan 0.000 0.516 523 I N 0.228 121.009 120.570 0.350 0.000 2.127 523 I HA -0.275 3.936 4.170 0.069 0.000 0.241 523 I C 2.360 178.753 176.117 0.460 0.000 1.075 523 I CA 0.919 62.457 61.300 0.398 0.000 1.334 523 I CB -0.189 38.144 38.000 0.555 0.000 1.040 523 I HN 0.073 nan 8.210 nan 0.000 0.405 524 V N 0.762 120.946 119.914 0.450 0.000 2.332 524 V HA -0.329 3.832 4.120 0.069 0.000 0.248 524 V C 2.028 178.296 176.094 0.290 0.000 1.055 524 V CA 2.109 64.626 62.300 0.362 0.000 1.038 524 V CB -0.692 31.297 31.823 0.278 0.000 0.651 524 V HN 0.425 nan 8.190 nan 0.000 0.450 525 D N 0.317 120.867 120.400 0.251 0.000 2.178 525 D HA -0.075 4.606 4.640 0.069 0.000 0.202 525 D C 2.170 178.536 176.300 0.110 0.000 0.974 525 D CA 1.453 55.564 54.000 0.185 0.000 0.841 525 D CB -0.527 40.383 40.800 0.185 0.000 0.953 525 D HN 0.472 nan 8.370 nan 0.000 0.478 526 G N 0.206 109.047 108.800 0.069 0.000 2.453 526 G HA2 -0.256 3.745 3.960 0.069 0.000 0.215 526 G HA3 -0.256 3.745 3.960 0.069 0.000 0.215 526 G C 1.459 176.348 174.900 -0.017 0.000 1.201 526 G CA 0.260 45.309 45.100 -0.086 0.000 0.784 526 G HN 0.168 nan 8.290 nan 0.000 0.545 527 F N 1.835 121.825 119.950 0.067 0.000 2.095 527 F HA -0.110 4.459 4.527 0.069 0.000 0.298 527 F C 3.207 178.934 175.800 -0.120 0.000 1.104 527 F CA 1.670 59.642 58.000 -0.046 0.000 1.232 527 F CB -0.478 38.499 39.000 -0.038 0.000 0.987 527 F HN 0.086 nan 8.300 nan 0.000 0.475 528 S N -0.085 115.717 115.700 0.172 0.000 2.359 528 S HA -0.234 4.277 4.470 0.069 0.000 0.224 528 S C 1.876 176.515 174.600 0.065 0.000 1.035 528 S CA 1.476 59.727 58.200 0.086 0.000 1.018 528 S CB -0.848 62.421 63.200 0.115 0.000 0.876 528 S HN 0.425 nan 8.310 nan 0.000 0.448 529 F N 2.394 122.312 119.950 -0.053 0.000 2.113 529 F HA -0.078 4.490 4.527 0.068 0.000 0.297 529 F C 2.357 178.112 175.800 -0.076 0.000 1.103 529 F CA 1.429 59.394 58.000 -0.058 0.000 1.248 529 F CB -0.240 38.678 39.000 -0.135 0.000 0.999 529 F HN 0.119 nan 8.300 nan 0.000 0.475 530 E N 0.144 120.333 120.200 -0.018 0.000 2.047 530 E HA -0.178 4.213 4.350 0.069 0.000 0.191 530 E C 2.167 178.588 176.600 -0.298 0.000 0.987 530 E CA 1.011 57.355 56.400 -0.093 0.000 0.799 530 E CB -0.395 29.398 29.700 0.154 0.000 0.752 530 E HN 0.314 nan 8.360 nan 0.000 0.449 531 L N 1.129 122.104 121.223 -0.414 0.000 2.201 531 L HA -0.077 4.305 4.340 0.069 0.000 0.212 531 L C 2.263 178.981 176.870 -0.253 0.000 1.105 531 L CA 1.304 55.877 54.840 -0.446 0.000 0.775 531 L CB -0.945 40.873 42.059 -0.402 0.000 0.913 531 L HN -0.032 nan 8.230 nan 0.000 0.440 532 S N -0.612 114.959 115.700 -0.216 0.000 2.442 532 S HA -0.133 4.379 4.470 0.069 0.000 0.236 532 S C 1.645 176.142 174.600 -0.173 0.000 1.007 532 S CA 0.947 59.045 58.200 -0.170 0.000 0.965 532 S CB -0.082 63.024 63.200 -0.157 0.000 0.773 532 S HN 0.472 nan 8.310 nan 0.000 0.504 533 K N 0.945 121.215 120.400 -0.217 0.000 2.404 533 K HA 0.184 4.545 4.320 0.069 0.000 0.194 533 K C -0.253 176.335 176.600 -0.020 0.000 1.023 533 K CA 0.076 56.285 56.287 -0.130 0.000 1.094 533 K CB 0.393 32.785 32.500 -0.179 0.000 0.841 533 K HN 0.152 nan 8.250 nan 0.000 0.523 534 V N 2.112 121.998 119.914 -0.047 0.000 2.455 534 V HA -0.027 4.134 4.120 0.069 0.000 0.273 534 V C 1.569 177.650 176.094 -0.022 0.000 1.045 534 V CA -0.003 62.297 62.300 -0.001 0.000 0.976 534 V CB 1.436 33.226 31.823 -0.056 0.000 0.993 534 V HN -0.050 nan 8.190 nan 0.000 0.475 535 V N 5.111 125.032 119.914 0.012 0.000 2.453 535 V HA -0.029 4.133 4.120 0.069 0.000 0.247 535 V C 1.267 177.345 176.094 -0.026 0.000 1.048 535 V CA 1.229 63.533 62.300 0.006 0.000 1.049 535 V CB -0.473 31.370 31.823 0.033 0.000 0.672 535 V HN 0.761 nan 8.190 nan 0.000 0.457 536 R N 0.988 121.444 120.500 -0.072 0.000 2.220 536 R HA 0.200 4.582 4.340 0.069 0.000 0.340 536 R C -1.772 174.410 176.300 -0.197 0.000 1.076 536 R CA -1.491 54.536 56.100 -0.122 0.000 0.920 536 R CB 0.587 30.739 30.300 -0.247 0.000 1.062 536 R HN 0.252 nan 8.270 nan 0.000 0.469 537 P HA -0.211 nan 4.420 nan 0.000 0.218 537 P C 0.787 178.061 177.300 -0.044 0.000 1.148 537 P CA 1.151 64.223 63.100 -0.047 0.000 0.822 537 P CB -0.021 31.686 31.700 0.013 0.000 0.784 538 Y N -1.145 119.155 120.300 0.001 0.000 2.274 538 Y HA -0.115 4.477 4.550 0.069 0.000 0.290 538 Y C 1.939 177.844 175.900 0.009 0.000 1.145 538 Y CA 0.765 58.866 58.100 0.002 0.000 1.203 538 Y CB -1.784 36.678 38.460 0.003 0.000 0.984 538 Y HN -0.112 nan 8.280 nan 0.000 0.533 539 I N 1.008 121.181 120.570 -0.662 0.000 2.179 539 I HA -0.270 3.942 4.170 0.069 0.000 0.242 539 I C 2.553 178.588 176.117 -0.137 0.000 1.088 539 I CA 1.563 62.643 61.300 -0.366 0.000 1.357 539 I CB -0.417 37.353 38.000 -0.383 0.000 1.051 539 I HN 0.185 nan 8.210 nan 0.000 0.409 540 R N 0.809 121.219 120.500 -0.149 0.000 2.091 540 R HA -0.195 4.186 4.340 0.069 0.000 0.238 540 R C 2.129 178.383 176.300 -0.077 0.000 1.136 540 R CA 1.548 57.571 56.100 -0.128 0.000 0.959 540 R CB -0.485 29.736 30.300 -0.130 0.000 0.856 540 R HN 0.465 nan 8.270 nan 0.000 0.437 541 E N 0.542 120.720 120.200 -0.037 0.000 2.077 541 E HA -0.167 4.224 4.350 0.069 0.000 0.193 541 E C 2.144 178.751 176.600 0.013 0.000 0.989 541 E CA 1.105 57.503 56.400 -0.003 0.000 0.800 541 E CB -0.030 29.692 29.700 0.036 0.000 0.746 541 E HN 0.273 nan 8.360 nan 0.000 0.452 542 R N 0.216 120.740 120.500 0.040 0.000 2.115 542 R HA -0.090 4.291 4.340 0.069 0.000 0.230 542 R C 2.356 178.683 176.300 0.045 0.000 1.111 542 R CA 0.884 57.020 56.100 0.059 0.000 0.976 542 R CB -0.153 30.203 30.300 0.095 0.000 0.870 542 R HN 0.055 nan 8.270 nan 0.000 0.445 543 V N 0.133 120.065 119.914 0.030 0.000 2.358 543 V HA -0.194 3.967 4.120 0.069 0.000 0.246 543 V C 2.255 178.327 176.094 -0.037 0.000 1.047 543 V CA 1.430 63.755 62.300 0.042 0.000 1.035 543 V CB -0.249 31.610 31.823 0.061 0.000 0.658 543 V HN 0.119 nan 8.190 nan 0.000 0.452 544 V N 0.571 120.438 119.914 -0.077 0.000 2.332 544 V HA -0.347 3.815 4.120 0.069 0.000 0.248 544 V C 2.317 178.366 176.094 -0.075 0.000 1.055 544 V CA 2.586 64.818 62.300 -0.114 0.000 1.038 544 V CB -0.684 31.078 31.823 -0.101 0.000 0.651 544 V HN 0.678 nan 8.190 nan 0.000 0.450 545 D N -0.997 119.392 120.400 -0.019 0.000 2.149 545 D HA -0.208 4.473 4.640 0.069 0.000 0.198 545 D C 2.252 178.621 176.300 0.115 0.000 0.990 545 D CA 1.133 55.150 54.000 0.030 0.000 0.839 545 D CB -0.002 40.836 40.800 0.062 0.000 0.948 545 D HN 0.325 nan 8.370 nan 0.000 0.460 546 Q N -0.168 119.688 119.800 0.093 0.000 2.124 546 Q HA -0.081 4.300 4.340 0.069 0.000 0.202 546 Q C 2.533 178.570 176.000 0.061 0.000 0.977 546 Q CA 0.697 56.577 55.803 0.129 0.000 0.850 546 Q CB -0.376 28.445 28.738 0.137 0.000 0.901 546 Q HN 0.460 nan 8.270 nan 0.000 0.429 547 L N 0.025 121.211 121.223 -0.063 0.000 2.131 547 L HA -0.121 4.261 4.340 0.069 0.000 0.210 547 L C 2.311 179.065 176.870 -0.193 0.000 1.092 547 L CA 0.933 55.659 54.840 -0.190 0.000 0.759 547 L CB -0.641 41.199 42.059 -0.365 0.000 0.903 547 L HN 0.096 nan 8.230 nan 0.000 0.435 548 A N -0.685 122.039 122.820 -0.161 0.000 2.070 548 A HA -0.213 4.148 4.320 0.069 0.000 0.220 548 A C 1.727 179.131 177.584 -0.300 0.000 1.159 548 A CA 1.350 53.255 52.037 -0.219 0.000 0.656 548 A CB -0.739 18.134 19.000 -0.212 0.000 0.800 548 A HN 0.462 nan 8.150 nan 0.000 0.453 549 H N -1.468 117.394 119.070 -0.346 0.000 2.547 549 H HA 0.297 4.895 4.556 0.069 0.000 0.266 549 H C 1.482 176.531 175.328 -0.465 0.000 0.988 549 H CA 0.869 56.574 56.048 -0.573 0.000 1.147 549 H CB 0.116 29.108 29.762 -1.284 0.000 1.365 549 H HN 0.506 nan 8.280 nan 0.000 0.589 550 I N -1.365 119.109 120.570 -0.159 0.000 3.132 550 I HA 0.113 4.325 4.170 0.069 0.000 0.255 550 I C -0.190 175.856 176.117 -0.120 0.000 1.118 550 I CA 0.305 61.577 61.300 -0.046 0.000 1.463 550 I CB 0.800 38.803 38.000 0.005 0.000 1.356 550 I HN 0.067 nan 8.210 nan 0.000 0.463 551 D N -0.387 119.867 120.400 -0.242 0.000 2.871 551 D HA 0.167 4.848 4.640 0.069 0.000 0.209 551 D C 0.190 176.318 176.300 -0.286 0.000 1.292 551 D CA -0.373 53.460 54.000 -0.278 0.000 0.869 551 D CB 1.515 42.001 40.800 -0.523 0.000 1.663 551 D HN -0.083 nan 8.370 nan 0.000 0.557 552 L N 2.931 124.048 121.223 -0.177 0.000 2.093 552 L HA -0.050 4.332 4.340 0.069 0.000 0.208 552 L C 1.392 178.182 176.870 -0.134 0.000 1.085 552 L CA 1.802 56.553 54.840 -0.149 0.000 0.755 552 L CB -0.620 41.380 42.059 -0.098 0.000 0.904 552 L HN 0.608 nan 8.230 nan 0.000 0.435 553 T N 0.859 115.359 114.554 -0.090 0.000 2.684 553 T HA -0.230 4.161 4.350 0.069 0.000 0.267 553 T C 1.838 176.477 174.700 -0.101 0.000 1.036 553 T CA 1.744 63.831 62.100 -0.023 0.000 1.148 553 T CB -0.387 68.552 68.868 0.118 0.000 0.863 553 T HN 0.302 nan 8.240 nan 0.000 0.436 554 L N 1.577 122.584 121.223 -0.361 0.000 2.012 554 L HA 0.006 4.388 4.340 0.069 0.000 0.210 554 L C 2.587 179.236 176.870 -0.370 0.000 1.073 554 L CA 2.128 56.604 54.840 -0.606 0.000 0.748 554 L CB -1.077 40.157 42.059 -1.374 0.000 0.891 554 L HN 0.211 nan 8.230 nan 0.000 0.431 555 A N -1.017 121.602 122.820 -0.335 0.000 1.877 555 A HA -0.258 4.103 4.320 0.069 0.000 0.216 555 A C 2.240 179.725 177.584 -0.165 0.000 1.186 555 A CA 1.937 53.823 52.037 -0.252 0.000 0.620 555 A CB -0.693 18.176 19.000 -0.219 0.000 0.822 555 A HN 0.690 nan 8.150 nan 0.000 0.443 556 Q N -0.841 118.885 119.800 -0.124 0.000 2.079 556 Q HA -0.089 4.292 4.340 0.069 0.000 0.200 556 Q C 2.454 178.425 176.000 -0.048 0.000 0.974 556 Q CA 1.258 57.017 55.803 -0.073 0.000 0.840 556 Q CB -0.368 28.341 28.738 -0.049 0.000 0.898 556 Q HN 0.690 nan 8.270 nan 0.000 0.430 557 A N 0.302 123.099 122.820 -0.038 0.000 1.902 557 A HA -0.152 4.209 4.320 0.069 0.000 0.217 557 A C 2.308 179.893 177.584 0.002 0.000 1.181 557 A CA 1.445 53.487 52.037 0.008 0.000 0.623 557 A CB -0.693 18.344 19.000 0.061 0.000 0.818 557 A HN 0.215 nan 8.150 nan 0.000 0.443 558 V N -0.153 119.736 119.914 -0.042 0.000 2.307 558 V HA -0.221 3.940 4.120 0.069 0.000 0.245 558 V C 3.068 179.132 176.094 -0.050 0.000 1.045 558 V CA 1.812 64.086 62.300 -0.042 0.000 1.024 558 V CB -1.355 30.393 31.823 -0.126 0.000 0.651 558 V HN 0.622 nan 8.190 nan 0.000 0.449 559 A N 0.099 122.876 122.820 -0.072 0.000 1.892 559 A HA -0.344 4.017 4.320 0.069 0.000 0.218 559 A C 2.360 179.926 177.584 -0.031 0.000 1.188 559 A CA 2.579 54.581 52.037 -0.058 0.000 0.631 559 A CB -0.597 18.366 19.000 -0.062 0.000 0.822 559 A HN 0.547 nan 8.150 nan 0.000 0.447 560 K N -0.709 119.680 120.400 -0.018 0.000 2.097 560 K HA -0.177 4.184 4.320 0.069 0.000 0.206 560 K C 1.462 178.067 176.600 0.008 0.000 1.049 560 K CA 1.509 57.795 56.287 -0.002 0.000 0.933 560 K CB -0.223 32.282 32.500 0.008 0.000 0.717 560 K HN 0.430 nan 8.250 nan 0.000 0.442 561 N N 0.796 119.504 118.700 0.014 0.000 2.381 561 N HA -0.092 4.690 4.740 0.069 0.000 0.182 561 N C 1.361 176.877 175.510 0.009 0.000 1.025 561 N CA 0.858 53.924 53.050 0.026 0.000 0.888 561 N CB 0.071 38.587 38.487 0.048 0.000 0.965 561 N HN 0.279 nan 8.380 nan 0.000 0.438 562 L N -1.056 120.160 121.223 -0.011 0.000 2.607 562 L HA 0.272 4.653 4.340 0.069 0.000 0.228 562 L C 1.008 177.868 176.870 -0.018 0.000 1.123 562 L CA 0.010 54.836 54.840 -0.025 0.000 0.890 562 L CB -0.027 42.002 42.059 -0.050 0.000 1.103 562 L HN 0.069 nan 8.230 nan 0.000 0.468 563 G N 1.483 110.277 108.800 -0.010 0.000 2.176 563 G HA2 -0.280 3.722 3.960 0.069 0.000 0.252 563 G HA3 -0.280 3.722 3.960 0.069 0.000 0.252 563 G C 0.019 174.912 174.900 -0.012 0.000 1.024 563 G CA 0.014 45.110 45.100 -0.007 0.000 0.755 563 G HN 0.303 nan 8.290 nan 0.000 0.507 564 I N 0.193 120.752 120.570 -0.019 0.000 2.460 564 I HA 0.406 4.617 4.170 0.069 0.000 0.298 564 I C 0.262 176.365 176.117 -0.023 0.000 0.989 564 I CA -0.677 60.610 61.300 -0.022 0.000 1.173 564 I CB 1.493 39.474 38.000 -0.032 0.000 1.338 564 I HN 0.085 nan 8.210 nan 0.000 0.456 565 E N 6.389 126.577 120.200 -0.020 0.000 2.133 565 E HA 0.413 4.805 4.350 0.069 0.000 0.274 565 E C -1.002 175.582 176.600 -0.028 0.000 0.930 565 E CA -0.700 55.687 56.400 -0.022 0.000 0.770 565 E CB 1.809 31.500 29.700 -0.015 0.000 1.104 565 E HN 0.416 nan 8.360 nan 0.000 0.403 566 L N 2.868 124.068 121.223 -0.037 0.000 2.485 566 L HA 0.060 4.441 4.340 0.069 0.000 0.275 566 L C 1.253 178.100 176.870 -0.038 0.000 1.207 566 L CA -0.032 54.780 54.840 -0.045 0.000 0.855 566 L CB -0.138 41.885 42.059 -0.060 0.000 1.114 566 L HN 0.644 nan 8.230 nan 0.000 0.485 567 T N -2.283 112.248 114.554 -0.038 0.000 2.726 567 T HA 0.012 4.403 4.350 0.069 0.000 0.294 567 T C 0.858 175.534 174.700 -0.040 0.000 1.013 567 T CA -0.650 61.430 62.100 -0.033 0.000 0.996 567 T CB 1.099 69.950 68.868 -0.028 0.000 1.016 567 T HN 0.578 nan 8.240 nan 0.000 0.529 568 D N 0.206 120.586 120.400 -0.033 0.000 2.117 568 D HA -0.121 4.560 4.640 0.069 0.000 0.198 568 D C 1.556 177.828 176.300 -0.045 0.000 0.982 568 D CA 1.162 55.141 54.000 -0.035 0.000 0.828 568 D CB 0.002 40.786 40.800 -0.026 0.000 0.967 568 D HN 0.562 nan 8.370 nan 0.000 0.464 569 D N 0.857 121.231 120.400 -0.044 0.000 2.106 569 D HA -0.172 4.510 4.640 0.069 0.000 0.191 569 D C 2.144 178.392 176.300 -0.087 0.000 0.997 569 D CA 0.989 54.957 54.000 -0.054 0.000 0.834 569 D CB -0.254 40.522 40.800 -0.040 0.000 0.956 569 D HN 0.335 nan 8.370 nan 0.000 0.448 570 Q N -0.372 119.374 119.800 -0.091 0.000 2.096 570 Q HA -0.135 4.246 4.340 0.069 0.000 0.204 570 Q C 2.091 178.011 176.000 -0.133 0.000 0.982 570 Q CA 0.626 56.352 55.803 -0.129 0.000 0.850 570 Q CB -0.043 28.633 28.738 -0.103 0.000 0.901 570 Q HN 0.160 nan 8.270 nan 0.000 0.422 571 L N 0.637 121.803 121.223 -0.095 0.000 2.265 571 L HA -0.139 4.243 4.340 0.069 0.000 0.215 571 L C 0.866 177.686 176.870 -0.083 0.000 1.117 571 L CA 1.680 56.470 54.840 -0.083 0.000 0.782 571 L CB -0.531 41.493 42.059 -0.058 0.000 0.914 571 L HN 0.244 nan 8.230 nan 0.000 0.441 572 N N -1.535 117.112 118.700 -0.088 0.000 2.203 572 N HA 0.183 4.964 4.740 0.069 0.000 0.207 572 N C 0.183 175.633 175.510 -0.099 0.000 1.130 572 N CA -0.236 52.768 53.050 -0.077 0.000 0.861 572 N CB 0.644 39.098 38.487 -0.056 0.000 1.005 572 N HN 0.175 nan 8.380 nan 0.000 0.507 573 I N 2.074 122.552 120.570 -0.154 0.000 2.587 573 I HA -0.057 4.154 4.170 0.069 0.000 0.284 573 I C 0.391 176.420 176.117 -0.147 0.000 1.134 573 I CA 0.241 61.419 61.300 -0.203 0.000 1.410 573 I CB 0.368 38.125 38.000 -0.406 0.000 1.392 573 I HN 0.054 nan 8.210 nan 0.000 0.545 574 T N 8.511 123.008 114.554 -0.096 0.000 2.902 574 T HA 0.103 4.494 4.350 0.069 0.000 0.301 574 T C -1.939 172.726 174.700 -0.058 0.000 1.012 574 T CA -0.841 61.226 62.100 -0.055 0.000 1.151 574 T CB -0.125 68.731 68.868 -0.021 0.000 0.946 574 T HN 0.432 nan 8.240 nan 0.000 0.542 575 P HA 0.189 nan 4.420 nan 0.000 0.269 575 P C -2.371 174.943 177.300 0.023 0.000 1.215 575 P CA -1.351 61.737 63.100 -0.021 0.000 0.780 575 P CB -0.432 31.265 31.700 -0.004 0.000 0.898 576 P HA 0.233 nan 4.420 nan 0.000 0.272 576 P C -2.438 174.914 177.300 0.087 0.000 1.240 576 P CA -1.197 61.969 63.100 0.109 0.000 0.791 576 P CB -1.110 30.699 31.700 0.181 0.000 0.978 577 P HA 0.082 nan 4.420 nan 0.000 0.272 577 P C -0.345 177.001 177.300 0.077 0.000 1.240 577 P CA 0.027 63.173 63.100 0.076 0.000 0.791 577 P CB 0.031 31.779 31.700 0.080 0.000 0.978 578 D N -0.668 119.770 120.400 0.065 0.000 2.384 578 D HA 0.135 4.816 4.640 0.069 0.000 0.244 578 D C -0.566 175.778 176.300 0.072 0.000 1.251 578 D CA -0.263 53.771 54.000 0.057 0.000 0.961 578 D CB -0.125 40.702 40.800 0.046 0.000 1.116 578 D HN -0.024 nan 8.370 nan 0.000 0.484 579 V N 1.114 121.060 119.914 0.053 0.000 2.333 579 V HA 0.179 4.340 4.120 0.069 0.000 0.274 579 V C -0.142 176.040 176.094 0.146 0.000 1.028 579 V CA -0.895 61.464 62.300 0.099 0.000 0.851 579 V CB -0.353 31.446 31.823 -0.040 0.000 1.000 579 V HN 0.688 nan 8.190 nan 0.000 0.456 580 N N 4.403 123.212 118.700 0.182 0.000 2.707 580 N HA -0.228 4.554 4.740 0.069 0.000 0.253 580 N C 1.186 176.758 175.510 0.104 0.000 0.998 580 N CA 1.163 54.305 53.050 0.153 0.000 0.751 580 N CB -0.848 37.771 38.487 0.219 0.000 0.920 580 N HN 1.344 nan 8.380 nan 0.000 0.539 581 G N -2.059 106.789 108.800 0.079 0.000 2.179 581 G HA2 -0.327 3.674 3.960 0.069 0.000 0.260 581 G HA3 -0.327 3.674 3.960 0.069 0.000 0.260 581 G C 0.071 175.000 174.900 0.048 0.000 0.977 581 G CA 0.363 45.497 45.100 0.056 0.000 0.641 581 G HN 0.417 nan 8.290 nan 0.000 0.533 582 L N -0.029 121.225 121.223 0.053 0.000 2.276 582 L HA 0.491 4.872 4.340 0.069 0.000 0.286 582 L C 1.088 177.970 176.870 0.020 0.000 1.061 582 L CA -0.408 54.453 54.840 0.035 0.000 0.807 582 L CB 1.427 43.508 42.059 0.037 0.000 1.177 582 L HN 0.048 nan 8.230 nan 0.000 0.429 583 K N 3.423 123.831 120.400 0.012 0.000 2.440 583 K HA 0.185 4.546 4.320 0.069 0.000 0.206 583 K C -0.728 175.865 176.600 -0.012 0.000 1.025 583 K CA -0.157 56.134 56.287 0.007 0.000 1.135 583 K CB 0.357 32.863 32.500 0.010 0.000 0.856 583 K HN 0.541 nan 8.250 nan 0.000 0.502 584 K N -0.781 119.608 120.400 -0.019 0.000 2.991 584 K HA 0.141 4.502 4.320 0.069 0.000 0.309 584 K C -2.326 174.257 176.600 -0.028 0.000 1.122 584 K CA -0.939 55.322 56.287 -0.044 0.000 0.879 584 K CB 0.758 33.214 32.500 -0.074 0.000 1.418 584 K HN -0.150 nan 8.250 nan 0.000 0.369 585 D N 1.960 122.338 120.400 -0.036 0.000 2.478 585 D HA 0.319 5.001 4.640 0.069 0.000 0.240 585 D C -2.258 174.029 176.300 -0.021 0.000 1.364 585 D CA -1.897 52.100 54.000 -0.004 0.000 0.987 585 D CB 2.272 43.091 40.800 0.032 0.000 1.328 585 D HN 0.273 nan 8.370 nan 0.000 0.584 586 P HA -0.087 nan 4.420 nan 0.000 0.225 586 P C 1.274 178.570 177.300 -0.006 0.000 1.148 586 P CA 0.761 63.835 63.100 -0.044 0.000 0.779 586 P CB 0.215 31.898 31.700 -0.027 0.000 0.780 587 S N -1.090 114.640 115.700 0.050 0.000 2.500 587 S HA -0.067 4.445 4.470 0.069 0.000 0.239 587 S C 1.629 176.322 174.600 0.155 0.000 0.989 587 S CA 0.798 59.065 58.200 0.112 0.000 0.951 587 S CB -1.341 61.949 63.200 0.151 0.000 0.759 587 S HN 0.159 nan 8.310 nan 0.000 0.523 588 L N 1.136 122.413 121.223 0.090 0.000 2.509 588 L HA 0.215 4.596 4.340 0.069 0.000 0.222 588 L C 1.438 178.225 176.870 -0.137 0.000 1.123 588 L CA 0.118 55.011 54.840 0.088 0.000 0.856 588 L CB -0.240 41.858 42.059 0.066 0.000 0.985 588 L HN 0.339 nan 8.230 nan 0.000 0.456 589 S N -0.323 115.274 115.700 -0.173 0.000 2.586 589 S HA 0.276 4.787 4.470 0.069 0.000 0.274 589 S C 1.101 175.594 174.600 -0.178 0.000 1.281 589 S CA -0.623 57.417 58.200 -0.267 0.000 1.035 589 S CB 1.373 64.415 63.200 -0.263 0.000 0.962 589 S HN 0.173 nan 8.310 nan 0.000 0.512 590 L N 3.235 124.280 121.223 -0.296 0.000 2.141 590 L HA -0.021 4.360 4.340 0.069 0.000 0.209 590 L C 0.887 177.513 176.870 -0.406 0.000 1.094 590 L CA 1.224 55.789 54.840 -0.459 0.000 0.763 590 L CB -0.261 41.216 42.059 -0.970 0.000 0.908 590 L HN 0.772 nan 8.230 nan 0.000 0.437 591 Y N -2.602 117.699 120.300 0.001 0.000 2.441 591 Y HA 0.310 4.901 4.550 0.069 0.000 0.266 591 Y C 2.156 178.081 175.900 0.041 0.000 1.093 591 Y CA -0.232 57.918 58.100 0.083 0.000 1.246 591 Y CB -0.540 37.998 38.460 0.130 0.000 1.262 591 Y HN -0.057 nan 8.280 nan 0.000 0.518 592 A N 0.920 123.772 122.820 0.054 0.000 1.903 592 A HA -0.152 4.209 4.320 0.069 0.000 0.219 592 A C 1.030 178.649 177.584 0.058 0.000 1.191 592 A CA 1.386 53.422 52.037 -0.001 0.000 0.638 592 A CB -0.973 17.973 19.000 -0.090 0.000 0.823 592 A HN 0.300 nan 8.150 nan 0.000 0.451 593 I N 1.035 121.646 120.570 0.068 0.000 2.347 593 I HA 0.224 4.436 4.170 0.069 0.000 0.283 593 I C -2.502 173.688 176.117 0.122 0.000 1.058 593 I CA -2.088 59.262 61.300 0.082 0.000 1.202 593 I CB 1.221 39.258 38.000 0.061 0.000 1.386 593 I HN 0.033 nan 8.210 nan 0.000 0.475 594 P HA 0.001 nan 4.420 nan 0.000 0.265 594 P C -0.261 177.119 177.300 0.134 0.000 1.187 594 P CA 0.388 63.596 63.100 0.179 0.000 0.766 594 P CB 0.555 32.353 31.700 0.164 0.000 0.820 595 D N -0.554 119.929 120.400 0.138 0.000 2.411 595 D HA 0.045 4.726 4.640 0.069 0.000 0.374 595 D C 0.743 177.099 176.300 0.093 0.000 1.187 595 D CA -0.127 53.934 54.000 0.103 0.000 0.928 595 D CB -0.843 40.017 40.800 0.098 0.000 1.402 595 D HN 0.384 nan 8.370 nan 0.000 0.478 596 G N 1.291 110.161 108.800 0.117 0.000 2.305 596 G HA2 0.358 4.359 3.960 0.069 0.000 0.243 596 G HA3 0.358 4.359 3.960 0.069 0.000 0.243 596 G C -0.170 174.770 174.900 0.067 0.000 1.288 596 G CA 0.417 45.577 45.100 0.100 0.000 0.901 596 G HN 0.351 nan 8.290 nan 0.000 0.516 597 D N -0.247 120.180 120.400 0.044 0.000 2.340 597 D HA 0.355 5.037 4.640 0.069 0.000 0.243 597 D C 0.903 177.214 176.300 0.018 0.000 0.988 597 D CA -0.403 53.612 54.000 0.026 0.000 0.959 597 D CB 1.655 42.463 40.800 0.013 0.000 1.226 597 D HN 0.521 nan 8.370 nan 0.000 0.509 598 V N -2.274 117.642 119.914 0.003 0.000 3.661 598 V HA 0.282 4.444 4.120 0.069 0.000 0.271 598 V C 0.898 176.969 176.094 -0.037 0.000 1.315 598 V CA -0.173 62.124 62.300 -0.006 0.000 1.072 598 V CB -1.066 30.751 31.823 -0.010 0.000 0.830 598 V HN 0.526 nan 8.190 nan 0.000 0.443 599 K N 1.561 121.932 120.400 -0.048 0.000 2.484 599 K HA 0.377 4.738 4.320 0.069 0.000 0.280 599 K C 1.308 177.860 176.600 -0.080 0.000 1.013 599 K CA 1.339 57.575 56.287 -0.086 0.000 1.029 599 K CB 0.080 32.538 32.500 -0.069 0.000 0.902 599 K HN 0.763 nan 8.250 nan 0.000 0.481 600 G N 3.214 111.926 108.800 -0.147 0.000 2.217 600 G HA2 -0.236 3.766 3.960 0.069 0.000 0.246 600 G HA3 -0.236 3.766 3.960 0.069 0.000 0.246 600 G C 0.059 174.992 174.900 0.056 0.000 0.990 600 G CA -0.117 44.973 45.100 -0.017 0.000 0.627 600 G HN 0.582 nan 8.290 nan 0.000 0.522 601 R N -0.110 120.392 120.500 0.004 0.000 2.726 601 R HA 0.590 4.971 4.340 0.069 0.000 0.272 601 R C 0.057 176.404 176.300 0.079 0.000 1.097 601 R CA 0.027 56.163 56.100 0.060 0.000 1.198 601 R CB 0.880 31.208 30.300 0.046 0.000 1.114 601 R HN 0.317 nan 8.270 nan 0.000 0.550 602 V N 0.950 120.934 119.914 0.116 0.000 2.709 602 V HA 0.357 4.518 4.120 0.069 0.000 0.308 602 V C -0.261 175.898 176.094 0.107 0.000 1.062 602 V CA -0.921 61.462 62.300 0.139 0.000 0.901 602 V CB 2.274 34.202 31.823 0.174 0.000 1.003 602 V HN 0.395 nan 8.190 nan 0.000 0.425 603 V N 2.664 122.636 119.914 0.096 0.000 2.459 603 V HA 0.773 4.935 4.120 0.069 0.000 0.295 603 V C 0.471 176.621 176.094 0.093 0.000 1.029 603 V CA -0.652 61.697 62.300 0.081 0.000 0.874 603 V CB 1.793 33.650 31.823 0.055 0.000 0.985 603 V HN 1.043 nan 8.190 nan 0.000 0.438 604 A N 5.898 128.780 122.820 0.104 0.000 2.366 604 A HA 0.756 5.117 4.320 0.069 0.000 0.272 604 A C -0.394 177.200 177.584 0.016 0.000 1.135 604 A CA -0.203 51.880 52.037 0.076 0.000 0.804 604 A CB -0.045 19.032 19.000 0.128 0.000 1.064 604 A HN 0.783 nan 8.150 nan 0.000 0.499 605 I N 3.499 124.075 120.570 0.009 0.000 2.354 605 I HA 0.166 4.378 4.170 0.069 0.000 0.286 605 I C -0.995 175.132 176.117 0.016 0.000 1.007 605 I CA -0.697 60.612 61.300 0.014 0.000 1.167 605 I CB 1.433 39.455 38.000 0.037 0.000 1.320 605 I HN 0.356 nan 8.210 nan 0.000 0.458 606 L N 7.530 128.755 121.223 0.005 0.000 2.283 606 L HA 0.344 4.725 4.340 0.069 0.000 0.287 606 L C 0.059 177.051 176.870 0.202 0.000 1.073 606 L CA 0.143 55.054 54.840 0.118 0.000 0.822 606 L CB 0.295 42.297 42.059 -0.095 0.000 1.186 606 L HN 0.426 nan 8.230 nan 0.000 0.436 607 L N 3.853 125.257 121.223 0.302 0.000 2.375 607 L HA 0.336 4.717 4.340 0.069 0.000 0.271 607 L C 0.313 177.465 176.870 0.471 0.000 1.107 607 L CA -0.537 54.463 54.840 0.267 0.000 0.806 607 L CB 1.207 43.341 42.059 0.125 0.000 1.146 607 L HN 0.734 nan 8.230 nan 0.000 0.447 608 N N -0.753 118.119 118.700 0.287 0.000 2.592 608 N HA 0.186 4.968 4.740 0.069 0.000 0.292 608 N C 0.049 175.638 175.510 0.132 0.000 1.260 608 N CA -0.740 52.517 53.050 0.346 0.000 0.910 608 N CB 0.689 39.314 38.487 0.230 0.000 1.257 608 N HN 0.542 nan 8.380 nan 0.000 0.569 609 D N -1.852 118.637 120.400 0.149 0.000 2.363 609 D HA -0.046 4.636 4.640 0.069 0.000 0.226 609 D C -0.486 175.795 176.300 -0.032 0.000 1.020 609 D CA 0.865 54.856 54.000 -0.014 0.000 0.892 609 D CB -0.099 40.744 40.800 0.072 0.000 0.900 609 D HN 0.668 nan 8.370 nan 0.000 0.531 610 E N 0.343 120.543 120.200 -0.000 0.000 2.874 610 E HA 0.206 4.598 4.350 0.069 0.000 0.320 610 E C -1.418 175.181 176.600 -0.002 0.000 1.141 610 E CA -0.368 56.025 56.400 -0.010 0.000 0.774 610 E CB 1.700 31.398 29.700 -0.002 0.000 1.542 610 E HN -0.085 nan 8.360 nan 0.000 0.380 611 V N 2.597 122.504 119.914 -0.012 0.000 2.583 611 V HA 0.199 4.360 4.120 0.069 0.000 0.287 611 V C 0.836 176.922 176.094 -0.014 0.000 1.051 611 V CA -0.269 62.029 62.300 -0.004 0.000 1.010 611 V CB 1.194 33.013 31.823 -0.006 0.000 0.988 611 V HN 0.487 nan 8.190 nan 0.000 0.478 612 R N 3.495 123.985 120.500 -0.016 0.000 2.586 612 R HA -0.024 4.357 4.340 0.069 0.000 0.346 612 R C 1.736 178.018 176.300 -0.030 0.000 1.044 612 R CA 0.626 56.710 56.100 -0.027 0.000 1.004 612 R CB 0.110 30.387 30.300 -0.038 0.000 0.968 612 R HN 1.011 nan 8.270 nan 0.000 0.438 613 S N 3.333 119.017 115.700 -0.026 0.000 2.407 613 S HA -0.279 4.232 4.470 0.069 0.000 0.235 613 S C 1.858 176.442 174.600 -0.027 0.000 1.036 613 S CA 1.292 59.477 58.200 -0.024 0.000 1.013 613 S CB -0.152 63.035 63.200 -0.021 0.000 0.820 613 S HN 0.718 nan 8.310 nan 0.000 0.476 614 A N 1.333 124.133 122.820 -0.033 0.000 2.066 614 A HA 0.016 4.378 4.320 0.069 0.000 0.218 614 A C 1.901 179.454 177.584 -0.052 0.000 1.157 614 A CA 1.319 53.334 52.037 -0.037 0.000 0.670 614 A CB -0.586 18.391 19.000 -0.038 0.000 0.804 614 A HN 0.526 nan 8.150 nan 0.000 0.453 615 D N -0.037 120.324 120.400 -0.065 0.000 2.085 615 D HA -0.090 4.592 4.640 0.069 0.000 0.199 615 D C 1.951 178.221 176.300 -0.050 0.000 0.981 615 D CA 0.715 54.659 54.000 -0.093 0.000 0.834 615 D CB -0.424 40.312 40.800 -0.107 0.000 0.992 615 D HN 0.310 nan 8.370 nan 0.000 0.457 616 L N 0.217 121.423 121.223 -0.028 0.000 2.051 616 L HA -0.225 4.156 4.340 0.069 0.000 0.214 616 L C 2.368 179.238 176.870 -0.001 0.000 1.076 616 L CA 0.908 55.744 54.840 -0.007 0.000 0.758 616 L CB -0.173 41.882 42.059 -0.007 0.000 0.890 616 L HN 0.099 nan 8.230 nan 0.000 0.433 617 L N -0.746 120.472 121.223 -0.008 0.000 2.044 617 L HA -0.123 4.259 4.340 0.069 0.000 0.205 617 L C 2.666 179.537 176.870 0.003 0.000 1.075 617 L CA 1.732 56.570 54.840 -0.003 0.000 0.747 617 L CB -0.555 41.499 42.059 -0.008 0.000 0.903 617 L HN 0.189 nan 8.230 nan 0.000 0.435 618 A N -0.488 122.329 122.820 -0.004 0.000 1.933 618 A HA -0.188 4.173 4.320 0.069 0.000 0.218 618 A C 2.239 179.843 177.584 0.034 0.000 1.175 618 A CA 1.827 53.869 52.037 0.008 0.000 0.628 618 A CB -0.786 18.208 19.000 -0.010 0.000 0.814 618 A HN 0.413 nan 8.150 nan 0.000 0.444 619 I N -0.324 120.269 120.570 0.038 0.000 2.113 619 I HA -0.273 3.938 4.170 0.069 0.000 0.238 619 I C 2.412 178.562 176.117 0.054 0.000 1.070 619 I CA 1.369 62.713 61.300 0.073 0.000 1.332 619 I CB -0.382 37.666 38.000 0.079 0.000 1.044 619 I HN 0.282 nan 8.210 nan 0.000 0.402 620 L N 0.565 121.810 121.223 0.037 0.000 2.083 620 L HA -0.229 4.152 4.340 0.069 0.000 0.209 620 L C 2.627 179.511 176.870 0.024 0.000 1.083 620 L CA 1.430 56.288 54.840 0.031 0.000 0.752 620 L CB -0.659 41.415 42.059 0.025 0.000 0.899 620 L HN 0.292 nan 8.230 nan 0.000 0.433 621 K N 0.751 121.164 120.400 0.021 0.000 2.057 621 K HA -0.178 4.184 4.320 0.069 0.000 0.207 621 K C 2.159 178.769 176.600 0.017 0.000 1.049 621 K CA 1.431 57.727 56.287 0.016 0.000 0.931 621 K CB -0.111 32.397 32.500 0.014 0.000 0.714 621 K HN 0.212 nan 8.250 nan 0.000 0.440 622 A N 1.525 124.361 122.820 0.027 0.000 1.877 622 A HA -0.092 4.269 4.320 0.069 0.000 0.216 622 A C 2.181 179.774 177.584 0.014 0.000 1.186 622 A CA 1.338 53.392 52.037 0.027 0.000 0.620 622 A CB -0.657 18.372 19.000 0.048 0.000 0.822 622 A HN 0.335 nan 8.150 nan 0.000 0.443 623 L N -0.480 120.753 121.223 0.017 0.000 1.994 623 L HA -0.236 4.145 4.340 0.069 0.000 0.208 623 L C 2.690 179.548 176.870 -0.021 0.000 1.071 623 L CA 2.109 56.949 54.840 -0.000 0.000 0.745 623 L CB -0.572 41.496 42.059 0.015 0.000 0.892 623 L HN 0.526 nan 8.230 nan 0.000 0.431 624 K N 0.621 121.018 120.400 -0.006 0.000 2.059 624 K HA -0.258 4.103 4.320 0.069 0.000 0.212 624 K C 2.018 178.605 176.600 -0.021 0.000 1.050 624 K CA 1.835 58.116 56.287 -0.010 0.000 0.927 624 K CB -0.185 32.319 32.500 0.007 0.000 0.714 624 K HN 0.287 nan 8.250 nan 0.000 0.447 625 A N 0.842 123.655 122.820 -0.012 0.000 2.070 625 A HA -0.106 4.256 4.320 0.069 0.000 0.220 625 A C 1.569 179.140 177.584 -0.023 0.000 1.159 625 A CA 1.338 53.367 52.037 -0.013 0.000 0.656 625 A CB -0.119 18.879 19.000 -0.003 0.000 0.800 625 A HN 0.219 nan 8.150 nan 0.000 0.453 626 K N -1.448 118.932 120.400 -0.033 0.000 2.358 626 K HA 0.206 4.567 4.320 0.069 0.000 0.197 626 K C 0.964 177.517 176.600 -0.078 0.000 1.025 626 K CA 0.613 56.873 56.287 -0.044 0.000 1.104 626 K CB 0.092 32.570 32.500 -0.035 0.000 0.855 626 K HN 0.690 nan 8.250 nan 0.000 0.531 627 G N 1.606 110.346 108.800 -0.101 0.000 2.160 627 G HA2 -0.233 3.768 3.960 0.069 0.000 0.251 627 G HA3 -0.233 3.768 3.960 0.069 0.000 0.251 627 G C 0.083 174.788 174.900 -0.324 0.000 1.008 627 G CA 0.269 45.267 45.100 -0.170 0.000 0.724 627 G HN 0.112 nan 8.290 nan 0.000 0.514 628 V N 0.768 120.531 119.914 -0.252 0.000 2.465 628 V HA 0.503 4.664 4.120 0.069 0.000 0.279 628 V C 0.721 176.653 176.094 -0.270 0.000 1.045 628 V CA -0.715 61.432 62.300 -0.256 0.000 0.938 628 V CB 1.087 32.851 31.823 -0.097 0.000 0.986 628 V HN 0.451 nan 8.190 nan 0.000 0.467 629 H N 1.840 120.922 119.070 0.021 0.000 2.495 629 H HA 0.785 5.382 4.556 0.069 0.000 0.350 629 H C 0.174 175.522 175.328 0.034 0.000 1.202 629 H CA -0.012 56.051 56.048 0.024 0.000 1.322 629 H CB 1.333 31.111 29.762 0.026 0.000 1.544 629 H HN 0.849 nan 8.280 nan 0.000 0.565 630 A N 1.307 124.232 122.820 0.176 0.000 2.401 630 A HA 0.575 4.937 4.320 0.069 0.000 0.310 630 A C -1.092 176.548 177.584 0.094 0.000 1.075 630 A CA -1.009 51.093 52.037 0.109 0.000 0.746 630 A CB 1.168 20.214 19.000 0.076 0.000 1.277 630 A HN 0.801 nan 8.150 nan 0.000 0.425 631 K N 2.037 122.484 120.400 0.079 0.000 2.471 631 K HA 0.677 5.039 4.320 0.069 0.000 0.252 631 K C -1.675 174.948 176.600 0.039 0.000 0.938 631 K CA -0.555 55.767 56.287 0.059 0.000 0.796 631 K CB 1.404 33.945 32.500 0.069 0.000 1.161 631 K HN 0.510 nan 8.250 nan 0.000 0.425 632 L N 3.837 125.073 121.223 0.022 0.000 2.281 632 L HA 0.357 4.738 4.340 0.069 0.000 0.285 632 L C -0.655 176.207 176.870 -0.015 0.000 1.074 632 L CA -1.104 53.741 54.840 0.008 0.000 0.817 632 L CB 0.371 42.431 42.059 0.001 0.000 1.168 632 L HN 0.445 nan 8.230 nan 0.000 0.434 633 L N 4.025 125.231 121.223 -0.028 0.000 2.330 633 L HA 0.608 4.990 4.340 0.069 0.000 0.271 633 L C -0.487 176.233 176.870 -0.249 0.000 1.013 633 L CA -0.432 54.322 54.840 -0.143 0.000 0.816 633 L CB 1.573 43.555 42.059 -0.128 0.000 1.287 633 L HN 0.405 nan 8.230 nan 0.000 0.435 634 Y N -0.664 119.163 120.300 -0.787 0.000 2.896 634 Y HA 0.262 4.853 4.550 0.069 0.000 0.317 634 Y C 1.061 176.213 175.900 -1.247 0.000 1.444 634 Y CA -0.213 57.336 58.100 -0.920 0.000 1.084 634 Y CB 1.497 39.767 38.460 -0.316 0.000 1.382 634 Y HN 0.581 nan 8.280 nan 0.000 0.471 635 S N 0.849 115.704 115.700 -1.408 0.000 2.522 635 S HA 0.145 4.656 4.470 0.069 0.000 0.227 635 S C 0.011 174.414 174.600 -0.328 0.000 0.986 635 S CA 0.748 58.538 58.200 -0.684 0.000 0.929 635 S CB -0.353 62.533 63.200 -0.523 0.000 0.769 635 S HN 0.621 nan 8.310 nan 0.000 0.529 636 R N -1.740 118.665 120.500 -0.158 0.000 2.752 636 R HA 0.621 5.002 4.340 0.069 0.000 0.271 636 R C -0.781 175.547 176.300 0.047 0.000 1.026 636 R CA -1.086 55.014 56.100 -0.000 0.000 0.901 636 R CB 0.249 30.586 30.300 0.061 0.000 1.243 636 R HN -0.036 nan 8.270 nan 0.000 0.463 637 M N 0.493 120.103 119.600 0.017 0.000 2.043 637 M HA 0.446 4.967 4.480 0.069 0.000 0.272 637 M C 1.215 177.527 176.300 0.019 0.000 1.279 637 M CA 1.308 56.613 55.300 0.009 0.000 1.109 637 M CB 0.125 32.725 32.600 -0.000 0.000 1.377 637 M HN 1.003 nan 8.290 nan 0.000 0.469 638 G N 0.508 109.308 108.800 -0.001 0.000 2.709 638 G HA2 -0.101 3.901 3.960 0.069 0.000 0.228 638 G HA3 -0.101 3.901 3.960 0.069 0.000 0.228 638 G C -0.640 174.239 174.900 -0.035 0.000 1.215 638 G CA 0.142 45.235 45.100 -0.012 0.000 1.003 638 G HN 1.014 nan 8.290 nan 0.000 0.584 639 E N -1.249 118.917 120.200 -0.058 0.000 2.433 639 E HA 0.671 5.062 4.350 0.069 0.000 0.278 639 E C -0.571 175.938 176.600 -0.152 0.000 0.976 639 E CA -0.478 55.868 56.400 -0.090 0.000 0.793 639 E CB 2.249 31.911 29.700 -0.062 0.000 1.311 639 E HN 1.764 nan 8.360 nan 0.000 0.460 640 V N -2.013 117.787 119.914 -0.190 0.000 3.141 640 V HA 0.757 4.918 4.120 0.069 0.000 0.312 640 V C -0.509 175.501 176.094 -0.140 0.000 1.157 640 V CA -0.705 61.460 62.300 -0.226 0.000 1.041 640 V CB 1.620 33.194 31.823 -0.416 0.000 1.071 640 V HN 0.773 nan 8.190 nan 0.000 0.441 641 T N 1.661 116.145 114.554 -0.117 0.000 2.829 641 T HA 0.829 5.221 4.350 0.069 0.000 0.280 641 T C 0.174 174.835 174.700 -0.065 0.000 0.999 641 T CA 0.206 62.261 62.100 -0.075 0.000 0.983 641 T CB 1.513 70.348 68.868 -0.055 0.000 0.968 641 T HN 1.347 nan 8.240 nan 0.000 0.446 642 A N 1.826 124.617 122.820 -0.049 0.000 2.240 642 A HA 0.470 4.832 4.320 0.069 0.000 0.292 642 A C 1.485 179.052 177.584 -0.028 0.000 1.121 642 A CA -0.460 51.554 52.037 -0.038 0.000 0.851 642 A CB 0.092 19.072 19.000 -0.033 0.000 1.167 642 A HN 0.896 nan 8.150 nan 0.000 0.503 643 D N -0.456 119.930 120.400 -0.023 0.000 2.354 643 D HA -0.176 4.505 4.640 0.069 0.000 0.216 643 D C 0.300 176.589 176.300 -0.018 0.000 0.970 643 D CA 1.501 55.490 54.000 -0.019 0.000 0.905 643 D CB -0.118 40.671 40.800 -0.018 0.000 0.903 643 D HN 0.549 nan 8.370 nan 0.000 0.508 644 D N -1.809 118.579 120.400 -0.020 0.000 2.571 644 D HA 0.231 4.913 4.640 0.069 0.000 0.239 644 D C 1.491 177.780 176.300 -0.018 0.000 1.267 644 D CA 0.008 53.998 54.000 -0.017 0.000 0.823 644 D CB -0.143 40.647 40.800 -0.017 0.000 1.056 644 D HN 0.207 nan 8.370 nan 0.000 0.494 645 G N 0.242 109.029 108.800 -0.021 0.000 2.184 645 G HA2 -0.300 3.701 3.960 0.069 0.000 0.264 645 G HA3 -0.300 3.701 3.960 0.069 0.000 0.264 645 G C 0.474 175.360 174.900 -0.024 0.000 0.975 645 G CA 0.512 45.599 45.100 -0.022 0.000 0.642 645 G HN 0.458 nan 8.290 nan 0.000 0.536 646 T N 1.138 115.677 114.554 -0.025 0.000 2.867 646 T HA 0.364 4.755 4.350 0.069 0.000 0.297 646 T C 0.810 175.490 174.700 -0.034 0.000 0.989 646 T CA 0.047 62.131 62.100 -0.026 0.000 1.159 646 T CB 1.914 70.768 68.868 -0.023 0.000 0.928 646 T HN 0.402 nan 8.240 nan 0.000 0.538 647 V N 5.520 125.415 119.914 -0.032 0.000 2.470 647 V HA 0.133 4.294 4.120 0.069 0.000 0.276 647 V C -0.028 176.042 176.094 -0.041 0.000 1.040 647 V CA -0.420 61.857 62.300 -0.039 0.000 1.008 647 V CB 0.528 32.332 31.823 -0.032 0.000 0.990 647 V HN 0.536 nan 8.190 nan 0.000 0.477 648 L N 9.578 130.766 121.223 -0.058 0.000 2.295 648 L HA 0.505 4.886 4.340 0.069 0.000 0.281 648 L C -2.149 174.682 176.870 -0.066 0.000 1.018 648 L CA -2.335 52.469 54.840 -0.059 0.000 0.841 648 L CB 1.608 43.623 42.059 -0.074 0.000 1.218 648 L HN 0.421 nan 8.230 nan 0.000 0.424 649 P HA 0.259 nan 4.420 nan 0.000 0.281 649 P C -0.292 176.984 177.300 -0.039 0.000 1.252 649 P CA -0.293 62.783 63.100 -0.040 0.000 0.778 649 P CB 1.015 32.701 31.700 -0.023 0.000 0.895 650 I N 2.612 123.156 120.570 -0.042 0.000 2.416 650 I HA 0.146 4.357 4.170 0.069 0.000 0.288 650 I C 1.700 177.804 176.117 -0.022 0.000 1.051 650 I CA -0.166 61.113 61.300 -0.035 0.000 1.375 650 I CB 1.081 39.063 38.000 -0.031 0.000 1.407 650 I HN 0.380 nan 8.210 nan 0.000 0.516 651 A N 5.358 128.168 122.820 -0.016 0.000 1.872 651 A HA 0.479 4.841 4.320 0.069 0.000 0.214 651 A C 1.072 178.651 177.584 -0.008 0.000 1.187 651 A CA 1.503 53.537 52.037 -0.005 0.000 0.614 651 A CB -0.082 18.923 19.000 0.008 0.000 0.826 651 A HN 0.809 nan 8.150 nan 0.000 0.442 652 A N -2.354 120.452 122.820 -0.023 0.000 2.557 652 A HA 0.602 4.963 4.320 0.069 0.000 0.292 652 A C -0.091 177.437 177.584 -0.094 0.000 1.139 652 A CA 0.148 52.168 52.037 -0.028 0.000 0.665 652 A CB -0.154 18.854 19.000 0.013 0.000 1.285 652 A HN 0.765 nan 8.150 nan 0.000 0.433 653 T N -1.845 112.653 114.554 -0.093 0.000 2.927 653 T HA 0.577 4.968 4.350 0.069 0.000 0.281 653 T C 0.855 175.501 174.700 -0.089 0.000 0.998 653 T CA -0.175 61.800 62.100 -0.209 0.000 1.019 653 T CB 0.285 69.076 68.868 -0.129 0.000 1.061 653 T HN 0.439 nan 8.240 nan 0.000 0.518 654 F N 0.675 120.655 119.950 0.052 0.000 2.091 654 F HA -0.082 4.486 4.527 0.069 0.000 0.299 654 F C 2.885 178.827 175.800 0.237 0.000 1.103 654 F CA 1.234 59.324 58.000 0.150 0.000 1.228 654 F CB -0.561 38.487 39.000 0.079 0.000 0.984 654 F HN 0.703 nan 8.300 nan 0.000 0.477 655 A N -0.240 122.757 122.820 0.296 0.000 2.123 655 A HA 0.170 4.531 4.320 0.069 0.000 0.214 655 A C 2.285 179.935 177.584 0.110 0.000 1.152 655 A CA 1.212 53.355 52.037 0.177 0.000 0.728 655 A CB -1.028 18.037 19.000 0.108 0.000 0.814 655 A HN 0.396 nan 8.150 nan 0.000 0.464 656 G N -1.412 107.444 108.800 0.095 0.000 2.719 656 G HA2 0.395 4.396 3.960 0.069 0.000 0.211 656 G HA3 0.395 4.396 3.960 0.069 0.000 0.211 656 G C 0.548 175.493 174.900 0.076 0.000 1.140 656 G CA 0.783 45.918 45.100 0.059 0.000 0.790 656 G HN 0.874 nan 8.290 nan 0.000 0.529 657 A N 1.535 124.433 122.820 0.131 0.000 3.159 657 A HA 0.687 5.048 4.320 0.069 0.000 0.330 657 A C -2.541 175.194 177.584 0.250 0.000 1.032 657 A CA -1.156 50.974 52.037 0.155 0.000 0.841 657 A CB 1.160 20.245 19.000 0.143 0.000 1.093 657 A HN 0.132 nan 8.150 nan 0.000 0.478 658 P HA 0.083 nan 4.420 nan 0.000 0.274 658 P C 1.245 178.362 177.300 -0.306 0.000 1.260 658 P CA 0.245 63.281 63.100 -0.107 0.000 0.793 658 P CB 0.793 32.432 31.700 -0.102 0.000 1.048 659 S N -0.189 114.979 115.700 -0.887 0.000 2.419 659 S HA -0.170 4.342 4.470 0.069 0.000 0.235 659 S C 1.939 176.411 174.600 -0.213 0.000 1.019 659 S CA 0.992 58.835 58.200 -0.595 0.000 0.982 659 S CB -1.255 61.540 63.200 -0.675 0.000 0.789 659 S HN 0.190 nan 8.310 nan 0.000 0.490 660 L N 2.701 123.799 121.223 -0.208 0.000 2.103 660 L HA -0.120 4.261 4.340 0.069 0.000 0.215 660 L C 2.849 179.569 176.870 -0.250 0.000 1.080 660 L CA 2.287 57.001 54.840 -0.210 0.000 0.764 660 L CB -1.729 40.191 42.059 -0.231 0.000 0.890 660 L HN 0.792 nan 8.230 nan 0.000 0.435 661 T N -4.248 110.232 114.554 -0.122 0.000 3.107 661 T HA 0.257 4.649 4.350 0.069 0.000 0.249 661 T C 0.393 175.195 174.700 0.170 0.000 1.096 661 T CA 0.372 62.489 62.100 0.029 0.000 1.012 661 T CB -0.456 68.495 68.868 0.139 0.000 0.977 661 T HN 0.084 nan 8.240 nan 0.000 0.527 662 V N -2.648 117.330 119.914 0.105 0.000 3.155 662 V HA 0.582 4.744 4.120 0.069 0.000 0.313 662 V C -0.169 175.981 176.094 0.094 0.000 1.162 662 V CA -0.957 61.427 62.300 0.139 0.000 1.048 662 V CB 2.105 34.026 31.823 0.162 0.000 1.092 662 V HN -0.000 nan 8.190 nan 0.000 0.447 663 D N 0.775 121.230 120.400 0.092 0.000 2.366 663 D HA 0.488 5.169 4.640 0.069 0.000 0.205 663 D C 0.562 176.859 176.300 -0.006 0.000 1.022 663 D CA 1.439 55.468 54.000 0.048 0.000 0.868 663 D CB 1.510 42.357 40.800 0.078 0.000 0.953 663 D HN 0.958 nan 8.370 nan 0.000 0.514 664 A N 0.151 122.983 122.820 0.020 0.000 2.599 664 A HA 0.582 4.943 4.320 0.069 0.000 0.290 664 A C -1.548 176.061 177.584 0.042 0.000 1.101 664 A CA -0.537 51.498 52.037 -0.004 0.000 0.674 664 A CB 1.674 20.657 19.000 -0.028 0.000 1.277 664 A HN -0.104 nan 8.150 nan 0.000 0.419 665 V N 0.867 120.796 119.914 0.026 0.000 2.686 665 V HA 0.548 4.709 4.120 0.069 0.000 0.306 665 V C -0.827 175.275 176.094 0.013 0.000 1.065 665 V CA -0.185 62.141 62.300 0.043 0.000 0.894 665 V CB 1.573 33.443 31.823 0.078 0.000 1.004 665 V HN 0.700 nan 8.190 nan 0.000 0.424 666 I N 4.154 124.739 120.570 0.024 0.000 2.465 666 I HA 0.552 4.763 4.170 0.069 0.000 0.291 666 I C -0.829 175.315 176.117 0.046 0.000 1.014 666 I CA -0.980 60.362 61.300 0.070 0.000 1.093 666 I CB 2.239 40.314 38.000 0.125 0.000 1.267 666 I HN 0.288 nan 8.210 nan 0.000 0.431 667 V N 7.472 127.429 119.914 0.072 0.000 2.313 667 V HA 0.349 4.510 4.120 0.069 0.000 0.278 667 V C -2.100 174.054 176.094 0.100 0.000 1.017 667 V CA -1.569 60.764 62.300 0.055 0.000 0.823 667 V CB 1.107 32.943 31.823 0.021 0.000 1.010 667 V HN 0.571 nan 8.190 nan 0.000 0.443 668 P HA 0.239 nan 4.420 nan 0.000 0.276 668 P C 0.247 177.566 177.300 0.031 0.000 1.261 668 P CA -0.383 62.730 63.100 0.023 0.000 0.800 668 P CB 1.194 32.901 31.700 0.012 0.000 1.066 669 C N 0.071 119.363 119.300 -0.012 0.000 2.713 669 C HA 0.634 5.135 4.460 0.069 0.000 0.330 669 C C 1.263 176.262 174.990 0.015 0.000 1.416 669 C CA 1.793 60.810 59.018 -0.001 0.000 2.351 669 C CB -1.034 26.684 27.740 -0.036 0.000 2.388 669 C HN 0.952 nan 8.230 nan 0.000 0.729 670 G N 0.817 109.624 108.800 0.012 0.000 2.250 670 G HA2 -0.076 3.926 3.960 0.069 0.000 0.252 670 G HA3 -0.076 3.926 3.960 0.069 0.000 0.252 670 G C -0.412 174.501 174.900 0.021 0.000 1.325 670 G CA 0.027 45.137 45.100 0.016 0.000 1.091 670 G HN 0.994 nan 8.290 nan 0.000 0.476 671 N N 1.352 120.072 118.700 0.032 0.000 3.127 671 N HA 0.060 4.842 4.740 0.069 0.000 0.317 671 N C 1.602 177.142 175.510 0.050 0.000 1.242 671 N CA -0.486 52.584 53.050 0.034 0.000 1.203 671 N CB -0.299 38.212 38.487 0.040 0.000 1.462 671 N HN 0.402 nan 8.380 nan 0.000 0.546 672 I N 1.328 121.915 120.570 0.027 0.000 2.423 672 I HA -0.258 3.953 4.170 0.069 0.000 0.254 672 I C 2.416 178.517 176.117 -0.027 0.000 1.151 672 I CA 0.728 62.038 61.300 0.016 0.000 1.421 672 I CB -1.412 36.559 38.000 -0.048 0.000 1.079 672 I HN 0.405 nan 8.210 nan 0.000 0.431 673 A N 0.656 123.457 122.820 -0.031 0.000 2.032 673 A HA -0.296 4.065 4.320 0.069 0.000 0.221 673 A C 2.075 179.663 177.584 0.007 0.000 1.165 673 A CA 2.200 54.218 52.037 -0.032 0.000 0.645 673 A CB -0.736 18.252 19.000 -0.021 0.000 0.807 673 A HN 0.454 nan 8.150 nan 0.000 0.453 674 D N -0.114 120.318 120.400 0.054 0.000 2.178 674 D HA -0.098 4.583 4.640 0.069 0.000 0.201 674 D C 1.212 177.573 176.300 0.101 0.000 0.980 674 D CA 1.632 55.690 54.000 0.098 0.000 0.842 674 D CB -0.150 40.747 40.800 0.162 0.000 0.948 674 D HN 0.614 nan 8.370 nan 0.000 0.472 675 I N -3.918 116.717 120.570 0.109 0.000 4.310 675 I HA 0.503 4.715 4.170 0.069 0.000 0.328 675 I C 1.587 177.790 176.117 0.144 0.000 1.406 675 I CA -0.257 61.118 61.300 0.124 0.000 1.174 675 I CB 0.284 38.381 38.000 0.163 0.000 1.279 675 I HN -0.115 nan 8.210 nan 0.000 0.471 676 A N 0.679 123.487 122.820 -0.020 0.000 2.015 676 A HA -0.045 4.317 4.320 0.069 0.000 0.219 676 A C 1.542 179.063 177.584 -0.105 0.000 1.163 676 A CA 1.606 53.481 52.037 -0.271 0.000 0.646 676 A CB -0.344 18.431 19.000 -0.375 0.000 0.806 676 A HN 0.463 nan 8.150 nan 0.000 0.448 677 D N -0.500 119.883 120.400 -0.029 0.000 2.462 677 D HA 0.026 4.708 4.640 0.069 0.000 0.221 677 D C -0.301 176.012 176.300 0.021 0.000 1.173 677 D CA -0.171 53.826 54.000 -0.005 0.000 0.831 677 D CB -0.052 40.737 40.800 -0.018 0.000 1.001 677 D HN 0.292 nan 8.370 nan 0.000 0.499 678 N N 1.080 119.803 118.700 0.039 0.000 2.402 678 N HA 0.040 4.821 4.740 0.069 0.000 0.252 678 N C 1.323 176.845 175.510 0.020 0.000 1.118 678 N CA -0.048 53.016 53.050 0.024 0.000 0.945 678 N CB 1.408 39.898 38.487 0.006 0.000 1.147 678 N HN 0.004 nan 8.380 nan 0.000 0.495 679 G N 3.201 112.018 108.800 0.028 0.000 2.440 679 G HA2 -0.257 3.744 3.960 0.069 0.000 0.218 679 G HA3 -0.257 3.744 3.960 0.069 0.000 0.218 679 G C 1.006 175.940 174.900 0.058 0.000 1.154 679 G CA 0.547 45.671 45.100 0.041 0.000 0.767 679 G HN 0.640 nan 8.290 nan 0.000 0.552 680 D N 1.221 121.653 120.400 0.054 0.000 2.104 680 D HA -0.125 4.556 4.640 0.069 0.000 0.194 680 D C 2.853 179.156 176.300 0.004 0.000 0.994 680 D CA 1.389 55.451 54.000 0.104 0.000 0.830 680 D CB -0.370 40.534 40.800 0.174 0.000 0.959 680 D HN 0.336 nan 8.370 nan 0.000 0.452 681 A N 1.516 124.166 122.820 -0.283 0.000 1.933 681 A HA -0.194 4.168 4.320 0.069 0.000 0.218 681 A C 2.022 179.412 177.584 -0.324 0.000 1.175 681 A CA 1.265 52.911 52.037 -0.650 0.000 0.628 681 A CB -0.428 18.070 19.000 -0.836 0.000 0.814 681 A HN 0.160 nan 8.150 nan 0.000 0.444 682 N N -1.521 117.126 118.700 -0.088 0.000 2.142 682 N HA -0.174 4.607 4.740 0.069 0.000 0.186 682 N C 1.695 177.194 175.510 -0.019 0.000 1.023 682 N CA 1.709 54.752 53.050 -0.011 0.000 0.852 682 N CB -0.495 38.048 38.487 0.093 0.000 0.998 682 N HN 0.686 nan 8.380 nan 0.000 0.424 683 Y N 0.782 121.047 120.300 -0.058 0.000 2.165 683 Y HA -0.300 4.291 4.550 0.069 0.000 0.286 683 Y C 2.414 178.270 175.900 -0.073 0.000 1.155 683 Y CA 1.400 59.464 58.100 -0.059 0.000 1.164 683 Y CB -0.432 38.000 38.460 -0.046 0.000 0.978 683 Y HN 0.013 nan 8.280 nan 0.000 0.513 684 Y N -0.309 119.896 120.300 -0.158 0.000 2.069 684 Y HA -0.350 4.241 4.550 0.069 0.000 0.278 684 Y C 2.184 177.906 175.900 -0.295 0.000 1.175 684 Y CA 2.005 59.980 58.100 -0.209 0.000 1.134 684 Y CB -0.606 37.737 38.460 -0.195 0.000 0.965 684 Y HN 0.180 nan 8.280 nan 0.000 0.498 685 L N -0.661 120.505 121.223 -0.096 0.000 2.072 685 L HA -0.219 4.162 4.340 0.069 0.000 0.205 685 L C 2.366 179.132 176.870 -0.174 0.000 1.079 685 L CA 1.700 56.456 54.840 -0.139 0.000 0.752 685 L CB -1.098 40.819 42.059 -0.236 0.000 0.906 685 L HN 0.321 nan 8.230 nan 0.000 0.436 686 M N -1.103 118.348 119.600 -0.249 0.000 2.080 686 M HA -0.257 4.264 4.480 0.069 0.000 0.260 686 M C 2.198 178.267 176.300 -0.384 0.000 1.068 686 M CA 1.786 56.929 55.300 -0.262 0.000 1.109 686 M CB -0.449 31.996 32.600 -0.259 0.000 1.342 686 M HN 0.254 nan 8.290 nan 0.000 0.405 687 E N 0.447 120.219 120.200 -0.714 0.000 2.038 687 E HA -0.234 4.157 4.350 0.069 0.000 0.195 687 E C 1.967 178.208 176.600 -0.599 0.000 1.000 687 E CA 1.563 57.494 56.400 -0.782 0.000 0.803 687 E CB -0.045 29.118 29.700 -0.894 0.000 0.750 687 E HN 0.489 nan 8.360 nan 0.000 0.448 688 A N 0.125 122.718 122.820 -0.379 0.000 1.940 688 A HA -0.217 4.144 4.320 0.069 0.000 0.219 688 A C 2.052 179.539 177.584 -0.162 0.000 1.176 688 A CA 1.586 53.498 52.037 -0.209 0.000 0.631 688 A CB -0.930 18.013 19.000 -0.095 0.000 0.814 688 A HN 0.577 nan 8.150 nan 0.000 0.446 689 Y N 0.553 120.699 120.300 -0.256 0.000 2.145 689 Y HA -0.200 4.391 4.550 0.069 0.000 0.286 689 Y C 2.402 178.172 175.900 -0.216 0.000 1.145 689 Y CA 2.316 60.292 58.100 -0.206 0.000 1.148 689 Y CB -0.218 38.138 38.460 -0.174 0.000 0.981 689 Y HN 0.328 nan 8.280 nan 0.000 0.507 690 K N -0.660 119.604 120.400 -0.227 0.000 2.152 690 K HA -0.229 4.133 4.320 0.069 0.000 0.206 690 K C 1.053 177.505 176.600 -0.245 0.000 1.048 690 K CA 2.074 58.192 56.287 -0.282 0.000 0.933 690 K CB -0.442 31.860 32.500 -0.330 0.000 0.721 690 K HN 0.587 nan 8.250 nan 0.000 0.447 691 H N 0.122 119.069 119.070 -0.206 0.000 2.526 691 H HA 0.198 4.796 4.556 0.069 0.000 0.274 691 H C 0.012 175.180 175.328 -0.266 0.000 0.999 691 H CA 0.223 56.149 56.048 -0.203 0.000 1.157 691 H CB 0.206 29.850 29.762 -0.197 0.000 1.407 691 H HN 0.112 nan 8.280 nan 0.000 0.568 692 L N -0.054 121.019 121.223 -0.249 0.000 4.351 692 L HA -0.260 4.122 4.340 0.069 0.000 0.410 692 L C -0.374 176.241 176.870 -0.425 0.000 1.150 692 L CA 0.481 55.085 54.840 -0.394 0.000 0.961 692 L CB -1.698 40.105 42.059 -0.427 0.000 2.130 692 L HN 0.275 nan 8.230 nan 0.000 0.787 693 K N 1.022 121.242 120.400 -0.299 0.000 2.218 693 K HA 0.432 4.793 4.320 0.069 0.000 0.276 693 K C -2.099 174.372 176.600 -0.214 0.000 1.022 693 K CA -1.756 54.377 56.287 -0.256 0.000 0.946 693 K CB 0.540 32.947 32.500 -0.155 0.000 1.000 693 K HN -0.207 nan 8.250 nan 0.000 0.468 694 P HA -0.015 nan 4.420 nan 0.000 0.264 694 P C -0.757 176.484 177.300 -0.098 0.000 1.183 694 P CA 0.552 63.557 63.100 -0.157 0.000 0.763 694 P CB 0.383 31.989 31.700 -0.156 0.000 0.807 695 I N 1.702 122.227 120.570 -0.075 0.000 2.608 695 I HA 0.660 4.871 4.170 0.069 0.000 0.295 695 I C -0.320 175.755 176.117 -0.071 0.000 1.049 695 I CA -0.859 60.416 61.300 -0.043 0.000 1.063 695 I CB 2.308 40.312 38.000 0.006 0.000 1.248 695 I HN 0.249 nan 8.210 nan 0.000 0.424 696 A N 7.119 129.908 122.820 -0.053 0.000 2.374 696 A HA 0.911 5.273 4.320 0.069 0.000 0.305 696 A C -1.236 176.451 177.584 0.171 0.000 1.053 696 A CA -0.430 51.564 52.037 -0.071 0.000 0.726 696 A CB 1.110 19.893 19.000 -0.361 0.000 1.229 696 A HN 0.636 nan 8.150 nan 0.000 0.431 697 L N 1.738 123.117 121.223 0.260 0.000 2.385 697 L HA 0.800 5.182 4.340 0.069 0.000 0.273 697 L C 0.188 177.264 176.870 0.343 0.000 0.990 697 L CA -0.630 54.376 54.840 0.277 0.000 0.821 697 L CB 2.172 44.341 42.059 0.183 0.000 1.279 697 L HN 0.777 nan 8.230 nan 0.000 0.412 698 A N 1.970 124.889 122.820 0.165 0.000 2.331 698 A HA 0.864 5.225 4.320 0.069 0.000 0.320 698 A C 0.565 178.136 177.584 -0.021 0.000 1.138 698 A CA 0.191 52.197 52.037 -0.051 0.000 0.790 698 A CB 1.162 19.939 19.000 -0.371 0.000 1.206 698 A HN 1.030 nan 8.150 nan 0.000 0.470 699 G N 2.338 111.121 108.800 -0.028 0.000 2.622 699 G HA2 -0.354 3.647 3.960 0.069 0.000 0.307 699 G HA3 -0.354 3.647 3.960 0.069 0.000 0.307 699 G C 0.606 175.505 174.900 -0.002 0.000 1.226 699 G CA 0.993 46.080 45.100 -0.022 0.000 0.997 699 G HN 0.707 nan 8.290 nan 0.000 0.551 700 D N 1.049 121.443 120.400 -0.010 0.000 2.182 700 D HA 0.098 4.779 4.640 0.069 0.000 0.201 700 D C 2.746 179.038 176.300 -0.014 0.000 0.986 700 D CA 2.288 56.275 54.000 -0.022 0.000 0.847 700 D CB -0.785 39.996 40.800 -0.031 0.000 0.942 700 D HN 0.915 nan 8.370 nan 0.000 0.467 701 A N 0.775 123.628 122.820 0.056 0.000 2.009 701 A HA -0.294 4.068 4.320 0.069 0.000 0.222 701 A C 2.056 179.741 177.584 0.168 0.000 1.175 701 A CA 1.628 53.773 52.037 0.180 0.000 0.651 701 A CB -0.631 18.496 19.000 0.212 0.000 0.815 701 A HN 0.197 nan 8.150 nan 0.000 0.459 702 R N -0.342 120.209 120.500 0.085 0.000 2.261 702 R HA -0.138 4.243 4.340 0.069 0.000 0.236 702 R C 1.798 178.101 176.300 0.005 0.000 1.141 702 R CA 1.352 57.488 56.100 0.060 0.000 1.001 702 R CB -0.224 30.098 30.300 0.037 0.000 0.866 702 R HN 0.555 nan 8.270 nan 0.000 0.468 703 K N -0.386 119.968 120.400 -0.078 0.000 2.280 703 K HA -0.136 4.225 4.320 0.069 0.000 0.202 703 K C 1.415 177.896 176.600 -0.199 0.000 1.047 703 K CA 1.084 57.265 56.287 -0.176 0.000 0.942 703 K CB -0.063 32.269 32.500 -0.280 0.000 0.739 703 K HN 0.239 nan 8.250 nan 0.000 0.457 704 F N 1.466 121.387 119.950 -0.048 0.000 2.502 704 F HA -0.086 4.482 4.527 0.069 0.000 0.298 704 F C 2.141 177.887 175.800 -0.091 0.000 1.111 704 F CA 0.672 58.631 58.000 -0.069 0.000 1.445 704 F CB -0.005 38.955 39.000 -0.068 0.000 1.081 704 F HN -0.072 nan 8.300 nan 0.000 0.558 705 K N 0.444 120.885 120.400 0.068 0.000 2.107 705 K HA -0.294 4.067 4.320 0.069 0.000 0.211 705 K C 2.245 178.812 176.600 -0.054 0.000 1.049 705 K CA 1.541 57.818 56.287 -0.017 0.000 0.927 705 K CB -0.405 32.084 32.500 -0.018 0.000 0.714 705 K HN 0.286 nan 8.250 nan 0.000 0.452 706 A N -0.071 122.725 122.820 -0.040 0.000 1.930 706 A HA -0.174 4.188 4.320 0.069 0.000 0.217 706 A C 2.195 179.749 177.584 -0.050 0.000 1.175 706 A CA 2.163 54.171 52.037 -0.049 0.000 0.627 706 A CB -0.845 18.125 19.000 -0.051 0.000 0.815 706 A HN 0.409 nan 8.150 nan 0.000 0.443 707 T N 0.067 114.607 114.554 -0.023 0.000 2.904 707 T HA -0.026 4.365 4.350 0.069 0.000 0.267 707 T C 1.310 175.952 174.700 -0.097 0.000 1.059 707 T CA 1.351 63.438 62.100 -0.021 0.000 1.137 707 T CB -0.550 68.354 68.868 0.059 0.000 0.879 707 T HN 0.624 nan 8.240 nan 0.000 0.467 708 I N -2.240 118.219 120.570 -0.186 0.000 3.884 708 I HA 0.496 4.708 4.170 0.069 0.000 0.330 708 I C 0.178 176.059 176.117 -0.393 0.000 1.451 708 I CA -0.638 60.422 61.300 -0.402 0.000 1.165 708 I CB -0.272 37.285 38.000 -0.738 0.000 1.097 708 I HN -0.043 nan 8.210 nan 0.000 0.404 709 K N 1.696 121.976 120.400 -0.199 0.000 3.077 709 K HA -0.112 4.249 4.320 0.069 0.000 0.264 709 K C -0.423 176.105 176.600 -0.120 0.000 1.008 709 K CA 0.532 56.743 56.287 -0.126 0.000 0.740 709 K CB -1.140 31.312 32.500 -0.080 0.000 1.273 709 K HN 0.436 nan 8.250 nan 0.000 0.477 710 I N 0.693 121.183 120.570 -0.132 0.000 2.365 710 I HA 0.329 4.541 4.170 0.069 0.000 0.291 710 I C 1.221 177.313 176.117 -0.041 0.000 1.004 710 I CA -0.813 60.438 61.300 -0.081 0.000 1.311 710 I CB 0.847 38.793 38.000 -0.089 0.000 1.401 710 I HN 0.247 nan 8.210 nan 0.000 0.491 711 A N 5.089 127.897 122.820 -0.020 0.000 2.351 711 A HA 0.224 4.585 4.320 0.069 0.000 0.257 711 A C 0.932 178.511 177.584 -0.008 0.000 1.087 711 A CA -0.429 51.601 52.037 -0.011 0.000 0.798 711 A CB 0.183 19.181 19.000 -0.003 0.000 1.033 711 A HN 0.753 nan 8.150 nan 0.000 0.488 712 D N 0.741 121.137 120.400 -0.007 0.000 2.263 712 D HA -0.203 4.479 4.640 0.069 0.000 0.208 712 D C 1.841 178.142 176.300 0.002 0.000 0.971 712 D CA 1.645 55.643 54.000 -0.004 0.000 0.867 712 D CB -0.197 40.600 40.800 -0.005 0.000 0.929 712 D HN 0.850 nan 8.370 nan 0.000 0.492 713 Q N 0.849 120.650 119.800 0.003 0.000 2.364 713 Q HA 0.110 4.492 4.340 0.069 0.000 0.207 713 Q C 1.034 177.039 176.000 0.008 0.000 0.970 713 Q CA 0.944 56.750 55.803 0.005 0.000 0.888 713 Q CB -0.117 28.624 28.738 0.005 0.000 0.951 713 Q HN 0.137 nan 8.270 nan 0.000 0.469 714 G N 1.455 110.260 108.800 0.007 0.000 2.710 714 G HA2 -0.172 3.830 3.960 0.069 0.000 0.668 714 G HA3 -0.172 3.830 3.960 0.069 0.000 0.668 714 G C -1.238 173.669 174.900 0.011 0.000 1.320 714 G CA -0.289 44.816 45.100 0.009 0.000 0.860 714 G HN 0.598 nan 8.290 nan 0.000 0.538 715 E N -0.874 119.334 120.200 0.014 0.000 2.372 715 E HA 0.552 4.944 4.350 0.069 0.000 0.279 715 E C -0.703 175.899 176.600 0.002 0.000 0.946 715 E CA -1.088 55.321 56.400 0.016 0.000 0.769 715 E CB 1.427 31.150 29.700 0.037 0.000 1.230 715 E HN 0.425 nan 8.360 nan 0.000 0.442 716 E N 1.027 121.221 120.200 -0.011 0.000 2.652 716 E HA 0.121 4.512 4.350 0.069 0.000 0.255 716 E C 0.989 177.557 176.600 -0.054 0.000 0.952 716 E CA 1.854 58.233 56.400 -0.035 0.000 0.947 716 E CB 0.702 30.380 29.700 -0.037 0.000 0.912 716 E HN 0.958 nan 8.360 nan 0.000 0.489 717 G N 2.881 111.634 108.800 -0.078 0.000 2.234 717 G HA2 -0.224 3.777 3.960 0.069 0.000 0.235 717 G HA3 -0.224 3.777 3.960 0.069 0.000 0.235 717 G C 0.207 175.069 174.900 -0.063 0.000 0.997 717 G CA -0.174 44.863 45.100 -0.104 0.000 0.623 717 G HN 0.427 nan 8.290 nan 0.000 0.514 718 I N 2.210 122.766 120.570 -0.023 0.000 2.328 718 I HA 0.452 4.663 4.170 0.069 0.000 0.287 718 I C 0.578 176.665 176.117 -0.050 0.000 1.012 718 I CA -1.084 60.208 61.300 -0.013 0.000 1.195 718 I CB 1.197 39.215 38.000 0.031 0.000 1.350 718 I HN -0.098 nan 8.210 nan 0.000 0.464 719 V N 7.712 127.560 119.914 -0.110 0.000 2.530 719 V HA 0.284 4.445 4.120 0.069 0.000 0.282 719 V C 0.386 176.447 176.094 -0.055 0.000 1.048 719 V CA -0.329 61.866 62.300 -0.176 0.000 0.997 719 V CB 0.988 32.547 31.823 -0.439 0.000 0.987 719 V HN 0.855 nan 8.190 nan 0.000 0.477 720 E N 4.445 124.674 120.200 0.048 0.000 2.383 720 E HA 0.904 5.295 4.350 0.069 0.000 0.275 720 E C -0.918 175.822 176.600 0.232 0.000 0.918 720 E CA -1.012 55.501 56.400 0.187 0.000 0.764 720 E CB 2.711 32.478 29.700 0.111 0.000 1.252 720 E HN 0.773 nan 8.360 nan 0.000 0.449 721 A N 1.432 124.398 122.820 0.243 0.000 2.515 721 A HA 0.291 4.652 4.320 0.069 0.000 0.292 721 A C -0.592 177.014 177.584 0.037 0.000 1.065 721 A CA -0.523 51.599 52.037 0.141 0.000 0.641 721 A CB 0.890 20.008 19.000 0.197 0.000 1.306 721 A HN 0.643 nan 8.150 nan 0.000 0.441 722 D N 0.446 120.845 120.400 -0.002 0.000 2.123 722 D HA 0.030 4.712 4.640 0.069 0.000 0.200 722 D C 1.061 177.308 176.300 -0.087 0.000 0.976 722 D CA 2.191 56.171 54.000 -0.033 0.000 0.831 722 D CB 0.042 40.828 40.800 -0.024 0.000 0.974 722 D HN 0.734 nan 8.370 nan 0.000 0.469 723 S N -1.099 114.522 115.700 -0.131 0.000 2.570 723 S HA 0.619 5.130 4.470 0.069 0.000 0.286 723 S C 0.123 174.478 174.600 -0.409 0.000 1.099 723 S CA -0.657 57.420 58.200 -0.205 0.000 0.913 723 S CB 2.378 65.503 63.200 -0.126 0.000 1.085 723 S HN 0.034 nan 8.310 nan 0.000 0.480 724 A N 1.224 123.712 122.820 -0.553 0.000 2.223 724 A HA 0.353 4.714 4.320 0.069 0.000 0.222 724 A C 0.383 177.707 177.584 -0.433 0.000 1.317 724 A CA 0.357 51.795 52.037 -0.998 0.000 0.985 724 A CB -1.049 17.524 19.000 -0.711 0.000 0.858 724 A HN 0.832 nan 8.150 nan 0.000 0.496 725 D N -3.114 117.169 120.400 -0.195 0.000 4.449 725 D HA 0.455 5.136 4.640 0.069 0.000 0.298 725 D C 1.273 177.608 176.300 0.058 0.000 1.684 725 D CA 1.011 55.024 54.000 0.021 0.000 0.981 725 D CB -0.277 40.544 40.800 0.036 0.000 1.459 725 D HN 0.576 nan 8.370 nan 0.000 0.673 726 G N 0.479 109.306 108.800 0.044 0.000 2.601 726 G HA2 -0.289 3.713 3.960 0.069 0.000 0.306 726 G HA3 -0.289 3.713 3.960 0.069 0.000 0.306 726 G C 0.594 175.543 174.900 0.081 0.000 1.172 726 G CA 1.661 46.793 45.100 0.052 0.000 0.966 726 G HN 1.106 nan 8.290 nan 0.000 0.542 727 S N -0.023 115.735 115.700 0.097 0.000 2.601 727 S HA 0.511 5.022 4.470 0.069 0.000 0.244 727 S C 1.372 176.043 174.600 0.118 0.000 1.001 727 S CA 0.827 59.078 58.200 0.086 0.000 0.984 727 S CB 0.301 63.531 63.200 0.049 0.000 0.842 727 S HN 0.994 nan 8.310 nan 0.000 0.474 728 F N 2.366 122.315 119.950 -0.001 0.000 2.134 728 F HA 0.014 4.582 4.527 0.069 0.000 0.299 728 F C 2.022 177.820 175.800 -0.003 0.000 1.097 728 F CA 1.454 59.453 58.000 -0.002 0.000 1.264 728 F CB -0.158 38.842 39.000 0.000 0.000 1.001 728 F HN 0.179 nan 8.300 nan 0.000 0.479 729 M N 0.043 119.787 119.600 0.240 0.000 2.193 729 M HA -0.121 4.401 4.480 0.069 0.000 0.265 729 M C 1.824 178.128 176.300 0.006 0.000 1.071 729 M CA 1.249 56.616 55.300 0.112 0.000 1.140 729 M CB -1.360 31.334 32.600 0.156 0.000 1.369 729 M HN 0.068 nan 8.290 nan 0.000 0.423 730 D N 0.616 121.029 120.400 0.020 0.000 2.133 730 D HA -0.171 4.510 4.640 0.069 0.000 0.195 730 D C 2.011 178.287 176.300 -0.040 0.000 0.997 730 D CA 1.232 55.230 54.000 -0.004 0.000 0.840 730 D CB -0.040 40.766 40.800 0.009 0.000 0.947 730 D HN 0.440 nan 8.370 nan 0.000 0.452 731 E N -0.207 119.952 120.200 -0.067 0.000 2.031 731 E HA -0.141 4.250 4.350 0.069 0.000 0.193 731 E C 2.091 178.603 176.600 -0.147 0.000 0.994 731 E CA 0.254 56.590 56.400 -0.107 0.000 0.800 731 E CB -0.110 29.506 29.700 -0.140 0.000 0.752 731 E HN 0.164 nan 8.360 nan 0.000 0.447 732 L N 1.058 122.152 121.223 -0.215 0.000 2.012 732 L HA -0.193 4.188 4.340 0.069 0.000 0.210 732 L C 2.156 178.955 176.870 -0.120 0.000 1.073 732 L CA 1.443 56.157 54.840 -0.209 0.000 0.748 732 L CB -0.567 41.327 42.059 -0.275 0.000 0.891 732 L HN 0.241 nan 8.230 nan 0.000 0.431 733 L N -0.078 121.096 121.223 -0.081 0.000 2.131 733 L HA -0.173 4.209 4.340 0.069 0.000 0.210 733 L C 2.620 179.464 176.870 -0.044 0.000 1.092 733 L CA 1.693 56.504 54.840 -0.049 0.000 0.759 733 L CB -1.784 40.258 42.059 -0.028 0.000 0.903 733 L HN 0.286 nan 8.230 nan 0.000 0.435 734 T N -0.170 114.354 114.554 -0.050 0.000 2.777 734 T HA -0.138 4.253 4.350 0.069 0.000 0.266 734 T C 2.111 176.777 174.700 -0.056 0.000 1.040 734 T CA 0.991 63.066 62.100 -0.041 0.000 1.141 734 T CB -0.126 68.719 68.868 -0.039 0.000 0.868 734 T HN 0.199 nan 8.240 nan 0.000 0.444 735 L N 0.350 121.520 121.223 -0.088 0.000 2.017 735 L HA -0.071 4.310 4.340 0.069 0.000 0.208 735 L C 2.725 179.529 176.870 -0.110 0.000 1.073 735 L CA 1.303 56.073 54.840 -0.118 0.000 0.745 735 L CB -0.569 41.401 42.059 -0.149 0.000 0.894 735 L HN 0.287 nan 8.230 nan 0.000 0.432 736 M N -0.554 118.996 119.600 -0.083 0.000 2.144 736 M HA -0.228 4.293 4.480 0.069 0.000 0.260 736 M C 2.442 178.744 176.300 0.003 0.000 1.067 736 M CA 1.861 57.133 55.300 -0.047 0.000 1.095 736 M CB -0.577 32.004 32.600 -0.032 0.000 1.365 736 M HN 0.349 nan 8.290 nan 0.000 0.406 737 A N 0.099 122.920 122.820 0.002 0.000 2.019 737 A HA 0.055 4.416 4.320 0.069 0.000 0.219 737 A C 2.114 179.740 177.584 0.070 0.000 1.164 737 A CA 1.688 53.746 52.037 0.036 0.000 0.644 737 A CB -0.595 18.420 19.000 0.025 0.000 0.805 737 A HN 0.514 nan 8.150 nan 0.000 0.449 738 A N -2.626 120.213 122.820 0.032 0.000 2.307 738 A HA 0.386 4.748 4.320 0.069 0.000 0.218 738 A C 0.881 178.479 177.584 0.024 0.000 1.228 738 A CA 1.145 53.211 52.037 0.049 0.000 0.857 738 A CB -0.454 18.533 19.000 -0.022 0.000 0.897 738 A HN 0.942 nan 8.150 nan 0.000 0.495 739 H N -1.070 117.942 119.070 -0.098 0.000 4.856 739 H HA -0.190 4.407 4.556 0.069 0.000 0.059 739 H C -0.065 175.053 175.328 -0.351 0.000 0.596 739 H CA 2.393 58.370 56.048 -0.118 0.000 0.946 739 H CB -0.601 29.202 29.762 0.067 0.000 0.453 739 H HN 0.446 nan 8.280 nan 0.000 0.801 740 R N -0.125 119.793 120.500 -0.970 0.000 2.808 740 R HA 0.603 4.985 4.340 0.069 0.000 0.272 740 R C -0.697 174.761 176.300 -1.405 0.000 0.995 740 R CA -0.348 54.953 56.100 -1.331 0.000 0.917 740 R CB 1.814 30.994 30.300 -1.867 0.000 1.217 740 R HN 0.110 nan 8.270 nan 0.000 0.471 741 V N 2.722 122.058 119.914 -0.964 0.000 2.267 741 V HA 0.095 4.256 4.120 0.069 0.000 0.254 741 V C 0.755 176.453 176.094 -0.659 0.000 1.144 741 V CA -0.394 61.498 62.300 -0.680 0.000 0.992 741 V CB -0.224 31.345 31.823 -0.425 0.000 1.199 741 V HN 0.725 nan 8.190 nan 0.000 0.493 742 W N 1.895 122.915 121.300 -0.466 0.000 2.374 742 W HA -0.179 4.522 4.660 0.069 0.000 0.288 742 W C 2.548 178.858 176.519 -0.349 0.000 1.218 742 W CA 0.891 57.867 57.345 -0.616 0.000 1.245 742 W CB -0.466 28.260 29.460 -1.223 0.000 1.126 742 W HN 0.664 nan 8.180 nan 0.000 0.545 743 S N 0.781 116.437 115.700 -0.072 0.000 2.465 743 S HA -0.212 4.300 4.470 0.069 0.000 0.241 743 S C 1.705 176.269 174.600 -0.060 0.000 1.000 743 S CA 1.151 59.328 58.200 -0.037 0.000 0.964 743 S CB -0.512 62.666 63.200 -0.037 0.000 0.763 743 S HN 0.421 nan 8.310 nan 0.000 0.512 744 R N 0.776 121.197 120.500 -0.131 0.000 2.275 744 R HA 0.233 4.615 4.340 0.069 0.000 0.199 744 R C 1.810 178.036 176.300 -0.123 0.000 0.989 744 R CA 0.366 56.366 56.100 -0.166 0.000 1.016 744 R CB -0.346 29.749 30.300 -0.341 0.000 0.918 744 R HN 0.479 nan 8.270 nan 0.000 0.473 745 I N 1.702 122.237 120.570 -0.059 0.000 2.163 745 I HA -0.214 3.997 4.170 0.069 0.000 0.243 745 I C -0.787 175.346 176.117 0.027 0.000 1.085 745 I CA 1.210 62.515 61.300 0.007 0.000 1.347 745 I CB -1.032 37.019 38.000 0.085 0.000 1.044 745 I HN 0.143 nan 8.210 nan 0.000 0.408 746 P HA -0.203 nan 4.420 nan 0.000 0.217 746 P C 0.978 178.304 177.300 0.043 0.000 1.148 746 P CA 1.530 64.656 63.100 0.042 0.000 0.834 746 P CB -0.143 31.580 31.700 0.038 0.000 0.783 747 K N -0.606 119.816 120.400 0.037 0.000 2.400 747 K HA 0.117 4.478 4.320 0.069 0.000 0.194 747 K C 1.994 178.649 176.600 0.091 0.000 1.033 747 K CA 0.656 56.986 56.287 0.073 0.000 1.021 747 K CB -0.368 32.204 32.500 0.120 0.000 0.808 747 K HN 0.326 nan 8.250 nan 0.000 0.505 748 I N -0.864 119.729 120.570 0.039 0.000 2.676 748 I HA -0.099 4.112 4.170 0.069 0.000 0.259 748 I C 1.137 177.290 176.117 0.061 0.000 1.194 748 I CA 1.116 62.439 61.300 0.039 0.000 1.473 748 I CB -0.207 37.771 38.000 -0.036 0.000 1.096 748 I HN -0.181 nan 8.210 nan 0.000 0.443 749 D N 2.225 122.662 120.400 0.062 0.000 2.190 749 D HA -0.168 4.514 4.640 0.069 0.000 0.200 749 D C 1.762 178.097 176.300 0.059 0.000 0.992 749 D CA 1.349 55.387 54.000 0.063 0.000 0.854 749 D CB -0.056 40.782 40.800 0.062 0.000 0.936 749 D HN 0.347 nan 8.370 nan 0.000 0.462 750 K N -0.161 120.276 120.400 0.063 0.000 2.444 750 K HA 0.226 4.588 4.320 0.069 0.000 0.193 750 K C 0.456 177.086 176.600 0.050 0.000 1.024 750 K CA -0.182 56.137 56.287 0.053 0.000 1.077 750 K CB 0.428 32.959 32.500 0.051 0.000 0.833 750 K HN 0.148 nan 8.250 nan 0.000 0.517 751 I N 2.778 123.385 120.570 0.061 0.000 2.304 751 I HA 0.186 4.398 4.170 0.069 0.000 0.291 751 I C -2.263 173.878 176.117 0.040 0.000 1.018 751 I CA -2.628 58.700 61.300 0.048 0.000 1.260 751 I CB 1.008 39.054 38.000 0.076 0.000 1.390 751 I HN -0.038 nan 8.210 nan 0.000 0.475 752 P HA 0.307 nan 4.420 nan 0.000 0.252 752 P C -0.927 176.426 177.300 0.089 0.000 1.727 752 P CA 0.034 63.168 63.100 0.056 0.000 1.134 752 P CB 0.322 32.052 31.700 0.050 0.000 1.876 753 A N 0.000 122.869 122.820 0.082 0.000 2.254 753 A HA 0.000 4.361 4.320 0.069 0.000 0.244 753 A CA 0.000 52.126 52.037 0.148 0.000 0.836 753 A CB 0.000 18.955 19.000 -0.076 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486